Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA4 | P22748 | 1/20 | 0.50 |
| ▸ | CA7 | P43166 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | CTSD | P07339 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | AGTR1 | P30556 | 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 | |
|---|---|---|---|---|
| SCHEMBL306964 | 0.84 | CA1 (0.54) | CA1CA2CA12CA4CA7 | |
| SCHEMBL29386813 | 0.84 | CA1 (0.54) | CA1CA2CA12CA4CA7 | |
| SCHEMBL503435 | 0.82 | KMT2A (0.55) | CA1CA2CA12CA4CA7 | |
| SCHEMBL6400516 | 0.82 | KMT2A (0.55) | CA1CA2CA12CA4CA7 | |
| SCHEMBL503436 | 0.82 | KMT2A (0.55) | CA1CA2CA12CA4CA7 | |
| SCHEMBL13170107 | 0.82 | POLB (0.49) | CA1CA2CA12CA4CA7 | |
| SCHEMBL30402411 | 0.81 | CYP3A4 (0.43) | SMN1; SMN2LMNACYP1A2HTTACHE | |
| SCHEMBL4554195 | 0.81 | KMT2A (0.53) | CA1CA2CA12CA4CA7 | |
| SCHEMBL7288497 | 0.81 | CA1 (0.50) | CA1CA2CA12CA4CA7 | |
| SCHEMBL9729192 | 0.81 | KMT2A (0.53) | CA1CA2CA12CA4CA7 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1363906-A2 | HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2003-11-26 | — | — | EP | claimed |
| WO-2002064586-A2 | HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2002-08-22 | — | — | WO | claimed |
| US-7361507-B1 | Method for modulating nitrilase selectivity, nitrilases obtained by said method and use thereof | AVENTIS ANIMAL NUTRITION S.A. (FR) | 2008-04-22 | — | — | US | disclosed |
| EP-1228198-B1 | METHOD FOR MODULATING NITRILASE SELECTIVITY, NITRILASES OBTAINED BY SAID METHOD AND USE THEREOF | ADISSEO FRANCE SAS (FR) | 2007-12-05 | — | — | EP | disclosed |
| EP-1363906-A2 | HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2003-11-26 | — | — | EP | disclosed |
| WO-2002064586-A2 | HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2002-08-22 | — | — | WO | disclosed |
| EP-1228198-A1 | METHOD FOR MODULATING NITRILASE SELECTIVITY, NITRILASES OBTAINED BY SAID METHOD AND USE THEREOF | AVENTIS ANIMAL NUTRITION S.A. (FR) | 2002-08-07 | — | — | EP | disclosed |
| WO-2001034786-A1 | METHOD FOR MODULATING NITRILASE SELECTIVITY, NITRILASES OBTAINED BY SAID METHOD AND USE THEREOF | AVENTIS ANIMAL NUTRITION S.A. (FR) | 2001-05-17 | — | — | WO | disclosed |