Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 9/20 | 0.48 |
| ▸ | AKR1C2 | P52895 | 9/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.40 |
| ▸ | AKR1C4 | P17516 | 2/20 | 0.40 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | PTGES | O14684 | 1/20 | 0.40 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.40 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2009304 | 0.89 | PTGS1 (0.49) | AKR1C3AKR1C2PTGS1PTGS2LMNA | |
| SCHEMBL2004797 | 0.88 | AKR1C3 (0.48) | AKR1C3AKR1C2PTGS1PTGS2LMNA | |
| SCHEMBL2003252 | 0.88 | AKR1C3 (0.49) | AKR1C3AKR1C2PTGS1PTGS2LMNA | |
| SCHEMBL2006796 | 0.88 | AKR1C3 (0.48) | AKR1C3AKR1C2PTGS1PTGS2LMNA | |
| SCHEMBL2004737 | 0.87 | PTGS1 (0.52) | AKR1C3AKR1C2PTGS1PTGS2LMNA | |
| SCHEMBL1999805 | 0.86 | AKR1C3 (0.45) | AKR1C3AKR1C2PTGS1PTGS2LMNA | |
| SCHEMBL2008282 | 0.86 | AKR1C3 (0.52) | AKR1C3AKR1C2PTGS1PTGS2LMNA | |
| SCHEMBL2006726 | 0.86 | AKR1C3 (0.47) | AKR1C3AKR1C2PTGS1PTGS2LMNA | |
| SCHEMBL2002264 | 0.85 | AKR1C3 (0.44) | AKR1C3AKR1C2PTGS1PTGS2LMNA | |
| SCHEMBL2000943 | 0.85 | AKR1C3 (0.46) | AKR1C3AKR1C2PTGS1PTGS2LMNA |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8884020-B2 | Indole compounds | IRONWOOD PHARMACEUTICALS, INC. (US) | 2014-11-11 | — | — | US | disclosed |
| EP-2610244-A1 | Indole compounds | Ironwood Pharmaceuticals, Inc. (US) | 2013-07-03 | — | — | EP | disclosed |
| US-7960544-B2 | Useful indole compounds | IRONWOOD PHARMACEUTICALS, INC. (US) | 2011-06-14 | — | — | US | disclosed |
| US-20090264653-A1 | USEFUL INDOLE COMPOUNDS | IRONWOOD PHARMACEUTICALS, INC. | 2009-10-22 | — | — | US | disclosed |
| US-20070203209-A1 | Useful indole compounds | IRONWOOD PHARMACEUTICALS, INC. | 2007-08-30 | — | — | US | disclosed |
| US-20070161698-A1 | Modulators of CRTH2 Activity | MICROBIA, INC. | 2007-07-12 | — | — | US | disclosed |
| US-7205329-B2 | Modulators of CRTH2 activity | MICROBIA, INC. (US) | 2007-04-17 | — | — | US | disclosed |
| US-20060135591-A1 | Modulators of CRTH2 activity | IRONWOOD PHARMACEUTICALS, INC. | 2006-06-22 | — | — | US | disclosed |
| US-20050234030-A1 | Modulators of CRTH2, COX-2 and FAAH | IRONWOOD PHARMACEUTICALS, INC. | 2005-10-20 | — | — | 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-20060135591-A1 | Modulators of CRTH2 activity | HRH2, HRH1, MRGPRX2 | AKR1C3 3064/4885AKR1C2 2503/4885PTGS1 189/4885 |
| US-20070161698-A1 | Modulators of CRTH2 Activity | HRH2, HRH1, MRGPRX2 | AKR1C3 3064/4885AKR1C2 2503/4885PTGS1 189/4885 |
| US-20070203209-A1 | Useful indole compounds | TPH2, HRH2, HRH1 | AKR1C3 1451/4885AKR1C2 1219/4885PTGS1 159/4885 |
| US-20090264653-A1 | USEFUL INDOLE COMPOUNDS | FAAH, FAAH2, AANAT | AKR1C3 970/4885AKR1C2 848/4885PTGS1 363/4885 |
| US-20050234030-A1 | Modulators of CRTH2, COX-2 and FAAH | FAAH2, FAAH, PTGES2 | AKR1C3 1303/4885AKR1C2 1007/4885PTGS1 14/4885 |
“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.