Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLKB1 | P03952 | 1/20 | 0.52 |
| ▸ | KLK1 | P06870 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 6/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | GAA | P10253 | 4/20 | 0.48 |
| ▸ | PKM | P14618 | 4/20 | 0.48 |
| ▸ | HPGD | P15428 | 4/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | PPARG | P37231 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL805634 | 0.93 | MEN1 (0.59) | KLKB1KLK1KMT2AMEN1MAPT | |
| SCHEMBL805736 | 0.93 | MEN1 (0.52) | KLKB1KLK1KMT2AMEN1MAPT | |
| SCHEMBL805673 | 0.93 | MAPT (0.53) | KLKB1KLK1KMT2AMEN1MAPT | |
| SCHEMBL10103684 | 0.89 | S1PR3 (0.59) | KLKB1KLK1KMT2AMEN1MAPT | |
| SCHEMBL10103998 | 0.89 | MEN1 (0.49) | KLKB1KLK1KMT2AMEN1MAPT | |
| SCHEMBL10103979 | 0.87 | MAPK1 (0.50) | KLKB1KLK1KMT2AMEN1MAPT | |
| SCHEMBL10103712 | 0.87 | MEN1 (0.52) | KLKB1KLK1KMT2AMEN1MAPT | |
| SCHEMBL10103999 | 0.86 | MAPT (0.54) | KLKB1KLK1KMT2AMEN1MAPT | |
| SCHEMBL805690 | 0.85 | NPC1 (0.52) | KLKB1KLK1KMT2AMEN1MAPT | |
| SCHEMBL10103704 | 0.84 | MEN1 (0.48) | KLKB1KLK1KMT2AMEN1MAPT |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140011771-A1 | S1P3 RECEPTOR INHIBITORS FOR TREATING PAIN | ALLERGAN, INC. (US) | 2014-01-09 | — | — | US | disclosed |
| US-8563594-B2 | S1P3 receptor inhibitors for treating pain | ALLERGAN, INC. (US) | 2013-10-22 | — | — | US | disclosed |
| US-8563594-B2 | S1P3 receptor inhibitors for treating pain | ALLERGAN, INC. (US) | 2013-10-22 | — | — | US | disclosed |
| US-20120071448-A1 | S1P3 Receptor Inhibitors for Treating Conditions of the Eye | ALLERGAN, INC. (US) | 2012-03-22 | — | — | US | disclosed |
| US-20110009453-A1 | S1P3 RECEPTOR INHIBITORS FOR TREATING INFLAMMATION | DONELLO JOHN E | 2011-01-13 | — | — | US | disclosed |
| WO-2010129553-A1 | S1P3 RECEPTOR INHIBITORS FOR TREATING CONDITIONS OF THE EYE | ALLERGAN, INC. (US) | 2010-11-11 | — | — | WO | disclosed |
| US-20100249069-A1 | S1P3 RECEPTOR INHIBITORS FOR TREATING PAIN | DONELLO JOHN E | 2010-09-30 | — | — | US | disclosed |
| US-20100249069-A1 | S1P3 RECEPTOR INHIBITORS FOR TREATING PAIN | DONELLO JOHN E | 2010-09-30 | — | — | US | disclosed |
| US-7737173-B2 | Indole-3-carboxylic acid amide, ester, thioamide and thiol ester compounds bearing aryl or heteroaryl groups having sphingosine-1-phosphate (S1P) receptor antagonist biological activity | ALLERGAN, INC. (US) | 2010-06-15 | — | — | US | disclosed |
| US-7737173-B2 | Indole-3-carboxylic acid amide, ester, thioamide and thiol ester compounds bearing aryl or heteroaryl groups having sphingosine-1-phosphate (S1P) receptor antagonist biological activity | ALLERGAN, INC. (US) | 2010-06-15 | — | — | US | disclosed |
| WO-2009117335-A2 | S1P3 RECEPTOR INHIBITORS FOR TREATING INFLAMMATION | ALLERGAN, INC. (US) | 2009-09-24 | — | — | WO | disclosed |
| WO-2008141013-A1 | S1P3 RECEPTOR INHIBITORS FOR TREATING PAIN | ALLERGAN, INC. (US) | 2008-11-20 | — | — | WO | disclosed |
| WO-2007095561-A2 | INDOLE-3-CARBOXYLIC ACID AMIDE, ESTER, THIOAMIDE AND THIOL ESTER COMPOUNDS BEARING ARYL OR HETEROARYL GROUPS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ANTAGONIST BIOLOGICAL ACTIVITY | ALLERGAN, INC. (US) | 2007-08-23 | — | — | WO | disclosed |
| US-20070191313-A1 | INDOLE-3-CARBOXYLIC ACID AMIDE, ESTER, THIOAMIDE AND THIOL ESTER COMPOUNDS BEARING ARYL OR HETEROARYL GROUPS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ANTAGONIST BIOLOGICAL ACTIVITY | ALLERGAN, INC. | 2007-08-16 | — | — | US | disclosed |
| US-20070191313-A1 | INDOLE-3-CARBOXYLIC ACID AMIDE, ESTER, THIOAMIDE AND THIOL ESTER COMPOUNDS BEARING ARYL OR HETEROARYL GROUPS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ANTAGONIST BIOLOGICAL ACTIVITY | ALLERGAN, INC. | 2007-08-16 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20140011771-A1 | S1P3 RECEPTOR INHIBITORS FOR TREATING PAIN | S1PR3, LPAR3, S1PR2 | KLKB1 1247/4885KLK1 2040/4885KMT2A 3317/4885 |
| US-20110009453-A1 | S1P3 RECEPTOR INHIBITORS FOR TREATING INFLAMMATION | S1PR3, S1PR1, S1PR2 | KLKB1 1028/4885KLK1 1712/4885KMT2A 4192/4885 |
| US-20120071448-A1 | S1P3 Receptor Inhibitors for Treating Conditions of the Eye | S1PR3, S1PR1, S1PR2 | KLKB1 602/4885KLK1 1568/4885KMT2A 4082/4885 |
| US-20100249069-A1 | S1P3 RECEPTOR INHIBITORS FOR TREATING PAIN | S1PR3, LPAR3, S1PR2 | KLKB1 1247/4885KLK1 2040/4885KMT2A 3317/4885 |
| US-20070191313-A1 | INDOLE-3-CARBOXYLIC ACID AMIDE, ESTER, THIOAMIDE AND THIOL ESTER COMPOUNDS BEARING ARYL OR HETEROARYL GROUPS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ANTAGONIST BIOLOGICAL ACTIVITY | S1PR3, S1PR1, S1PR2 | KLKB1 3559/4885KLK1 3190/4885KMT2A 3030/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.