Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.61 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.56 |
| ▸ | GABRG2 | P18507 | 3/20 | 0.56 |
| ▸ | GABRB3 | P28472 | 3/20 | 0.56 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.56 |
| ▸ | GABRA3 | P34903 | 3/20 | 0.56 |
| ▸ | GABRA2 | P47869 | 3/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.56 |
| ▸ | HPGD | P15428 | 3/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 4/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | MAOA | P21397 | 1/20 | 0.55 |
| ▸ | MAOB | P27338 | 1/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL13309192 | 0.88 | GABRA1 (0.67) | TRPM8GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL8637415 | 0.84 | KDM4E (0.55) | TRPM8GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL5504619 | 0.83 | KDM4E (0.69) | TRPM8GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL13802390 | 0.82 | AKR1C2 (0.69) | TRPM8GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL7848053 | 0.82 | TRPM8 (0.61) | TRPM8GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL28491260 | 0.81 | TRPM8 (0.69) | TRPM8GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL29751790 | 0.81 | TRPM8 (0.69) | TRPM8GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL6316345 | 0.79 | GAA (0.50) | TRPM8GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL6314661 | 0.79 | GAA (0.50) | TRPM8GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL1434196 | 0.79 | ALDH1A1 (0.67) | KDM4EHPGDALDH1A1HSD17B10MAPT |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| CN-101460458-A | 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) | 2009-06-17 | — | — | CN | disclosed |
| EP-1984334-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) | 2008-10-29 | — | — | EP | 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 |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 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-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 | TRPM8 726/4885GABRA1 1920/4885GABRG2 3264/4885 |
“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.