Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 3/20 | 0.55 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.54 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 2/20 | 0.53 |
| ▸ | MMP2 | P08253 | 1/20 | 0.53 |
| ▸ | MC4R | P32245 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | IDO1 | P14902 | 1/20 | 0.49 |
| ▸ | CTSL | P07711 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | ANPEP | P15144 | 1/20 | 0.48 |
| ▸ | ERAP2 | Q6P179 | 1/20 | 0.48 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.48 |
| ▸ | LTA4H | P09960 | 1/20 | 0.48 |
| ▸ | LAP3 | P28838 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL6559285 | 0.90 | MMP2 (0.56) | RAB9AITGA4ITGB7MMP2IDO1 | |
| SCHEMBL6559288 | 0.90 | MMP2 (0.56) | RAB9AITGA4ITGB7MMP2IDO1 | |
| Phenylmethanesulfonic Acid SCHEMBL10341839 | 0.88 | ITGA4 (0.49) | RAB9AITGA4ITGB7NPC1MMP2 | |
| SCHEMBL10501021 | 0.87 | ITGA4 (0.46) | RAB9AITGA4ITGB7NPC1MMP2 | |
| SCHEMBL6897867 | 0.87 | ITGA4 (0.46) | RAB9AITGA4ITGB7NPC1MMP2 | |
| SCHEMBL10500994 | 0.87 | ITGA4 (0.46) | RAB9AITGA4ITGB7NPC1MMP2 | |
| SCHEMBL6076979 | 0.87 | RAB9A (0.53) | RAB9ANPC1MEN1KMT2ACTSL | |
| SCHEMBL6076971 | 0.87 | RAB9A (0.53) | RAB9ANPC1MEN1KMT2ACTSL | |
| SCHEMBL7063442 | 0.86 | RAB9A (0.50) | RAB9AITGA4ITGB7MEN1KMT2A | |
| SCHEMBL6921335 | 0.86 | GAA (0.57) | RAB9AKMT2AIDO1 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0593559-A1 | AROMATIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN THERAPY | MERCK SHARP & DOHME LTD. (GB) | 1994-04-27 | — | — | EP | claimed |
| WO-1993001169-A2 | AROMATIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN THERAPY | MERCK SHARP & DOHME LIMITED (GB) | 1993-01-21 | — | — | WO | claimed |
| US-6329394-B1 | 5HT3 ANTAGONIST AND NK1 RECEPTORS SUBSTANCE P ANTAGONISTS AND OTHER NEUROKININ ANTAGONISTS, IN THE TREATMENT OF EMESIS. | GLAXO GROUP LIMITED (GB) | 2001-12-11 | — | — | US | disclosed |
| EP-0819005-A4 | 2-ACYLAMINOPROPANAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS | LILLY CO ELI (US) | 2001-03-21 | — | — | EP | disclosed |
| EP-0819005-A1 | 2-ACYLAMINOPROPANAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS | ELI LILLY AND COMPANY (US) | 1998-01-21 | — | — | EP | disclosed |
| US-5565568-A | USEFUL IN TREATMENT OR PREVENTION OF A PHYSIOLOGICAL DISORDER ASSOCIATED WITH AN EXCESS OF TACHYKININS | ELI LILLY AND COMPANY (US) | 1996-10-15 | — | — | US | disclosed |
| WO-1996031214-A1 | 2-ACYLAMINOPROPANAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS | ELI LILLY AND COMPANY (US) | 1996-10-10 | — | — | WO | disclosed |
| US-5547964-A | ANTIEMETIC DURING DRUG THERAPY | GLAXO GROUP LIMITED (GB) | 1996-08-20 | — | — | US | disclosed |
| US-5472978-A | Tachykinin antagonists for treating pain, migraine and antiinflammatory agents | MERCK SHARP & DOHME LTD. (GB) | 1995-12-05 | — | — | US | disclosed |
| EP-0615751-A1 | Use of tachykinin antagonists in the treatment of emesis | GLAXO GROUP LIMITED (GB) | 1994-09-21 | — | — | EP | disclosed |
| EP-0593559-A1 | AROMATIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN THERAPY | MERCK SHARP & DOHME LTD. (GB) | 1994-04-27 | — | — | EP | disclosed |
| WO-1993001169-A2 | AROMATIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN THERAPY | MERCK SHARP & DOHME LIMITED (GB) | 1993-01-21 | — | — | WO | disclosed |