Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL3885745 | 0.84 | CPB2 (0.43) | ALDH1A1CPB2KDM4EBACE1 | |
| Hydrochloric Acid SCHEMBL6224043 | 0.83 | CPB2 (0.43) | CPB2BACE1 | |
| SCHEMBL5260948 | 0.76 | NPC1 (0.53) | RAB9AALDH1A1NPC1MAPTPKM | |
| SCHEMBL3016243 | 0.71 | BACE1 (0.70) | RAB9AALDH1A1NPC1MAPTPKM | |
| SCHEMBL19359313 | 0.71 | SMN1; SMN2 (0.50) | RAB9AALDH1A1NPC1MAPTPKM | |
| SCHEMBL28671126 | 0.70 | CPB2 (0.47) | RAB9AALDH1A1NPC1MAPTPKM | |
| Benzene SCHEMBL27873122 | 0.69 | CA1 (0.76) | RAB9AALDH1A1NPC1MAPTNPSR1 | |
| SCHEMBL5795560 | 0.68 | MAPT (0.46) | RAB9AALDH1A1NPC1MAPTPKM | |
| SCHEMBL9678668 | 0.68 | LMNA (0.57) | RAB9AALDH1A1NPC1MAPTCYP1A2 | |
| SCHEMBL5693092 | 0.68 | CHEK1 (0.50) | RAB9AALDH1A1NPC1MAPTPKM |
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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1047425-A4 | INTEGRIN RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2009-04-22 | — | — | EP | disclosed |
| EP-1331937-A4 | DIBENZOXAZEPINE ALPHA V INTEGRIN RECEPTOR ANTAGONIST | MERCK & CO INC (US) | 2004-07-21 | — | — | EP | disclosed |
| EP-1331937-A2 | DIBENZOXAZEPINE ALPHA V INTEGRIN RECEPTOR ANTAGONIST | Merck & Co., Inc. (US) | 2003-08-06 | — | — | EP | disclosed |
| EP-1319002-A1 | ALPHA V INTEGRIN RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2003-06-18 | — | — | EP | disclosed |
| EP-1007026-A4 | INTEGRIN ANTAGONISTS | MERCK & CO INC (US) | 2002-08-07 | — | — | EP | disclosed |
| WO-2002040505-A2 | DIBENZOXAZEPINE ALPHA V INTEGRIN RECEPTOR ANTAGONIST | MERCK & CO., INC. (US) | 2002-05-23 | — | — | WO | disclosed |
| WO-2002022615-A1 | ALPHA V INTEGRIN RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2002-03-21 | — | — | WO | disclosed |
| WO-2002022616-A2 | ALPHA V INTEGRIN RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2002-03-21 | — | — | WO | disclosed |
| EP-0934305-A4 | INTEGRIN ANTAGONISTS | MERCK & CO INC (US) | 2001-04-11 | — | — | EP | disclosed |
| EP-0946165-A4 | INTEGRIN ANTAGONISTS | MERCK & CO INC (US) | 2001-04-11 | — | — | EP | disclosed |
| EP-0946165-A1 | INTEGRIN ANTAGONISTS | Merck & Co., Inc. (US) | 1999-10-06 | — | — | EP | disclosed |
| EP-0934305-A1 | INTEGRIN ANTAGONISTS | Merck & Co., Inc. (US) | 1999-08-11 | — | — | EP | disclosed |
| WO-1999030709-A1 | INTEGRIN RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1999-06-24 | — | — | WO | disclosed |
| WO-1999031061-A1 | INTEGRIN RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1999-06-24 | — | — | WO | disclosed |
| WO-1999031099-A1 | INTEGRIN RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1999-06-24 | — | — | WO | disclosed |
| WO-1998046220-A1 | COMBINATION THERAPY FOR THE PREVENTION AND TREATMENT OF OSTEOPOROSIS | MERCK & CO., INC. (US) | 1998-10-22 | — | — | WO | disclosed |
| WO-1998044797-A1 | A METHOD OF TREATING CANCER | MERCK & CO., INC. (US) | 1998-10-15 | — | — | WO | disclosed |
| WO-1998031359-A1 | INTEGRIN ANTAGONISTS | MERCK & CO., INC. (US) | 1998-07-23 | — | — | WO | disclosed |
| WO-1998018460-A1 | INTEGRIN ANTAGONISTS | MERCK & CO., INC. (US) | 1998-05-07 | — | — | WO | disclosed |
| WO-1998008840-A1 | INTEGRIN ANTAGONISTS | MERCK & CO., INC. (US) | 1998-03-05 | — | — | WO | disclosed |