Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 1/20 | 0.35 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.34 |
| ▸ | ACE | P12821 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | FAAH | O00519 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | GFER | P55789 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7368927 | 0.88 | ITGB3 (0.34) | ITGB3ITGA2B | |
| SCHEMBL8619349 | 0.88 | ACE2 (0.36) | CYP19A1ACHE | |
| SCHEMBL8621118 | 0.87 | ITGB3 (0.49) | ITGB3ITGA2B | |
| SCHEMBL8622174 | 0.84 | ENO1 (0.33) | CYP19A1 | |
| SCHEMBL8619473 | 0.82 | FAAH (0.30) | ITGB3ITGA2BFAAH | |
| SCHEMBL7341454 | 0.82 | TACR1 (0.38) | ITGB3ITGA2BCYP19A1ALDH1A1ACHE | |
| SCHEMBL7374011 | 0.82 | DPP4 (0.36) | CYP19A1ALDH1A1KDM4EACHE | |
| SCHEMBL7371949 | 0.81 | ACE (0.35) | CYP19A1ACEALDH1A1KDM4EACHE | |
| SCHEMBL8621139 | 0.78 | ITGB3 (0.37) | ITGB3ITGA2BALDH1A1KDM4EMEN1 | |
| SCHEMBL8620398 | 0.77 | MC4R (0.33) | CYP19A1ACEALDH1A1MEN1KMT2A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0755374-B1 | PROCESS FOR PEPTIDE SEGMENT CONDENSATION | MERCK & CO INC (US) | 2000-08-16 | — | — | EP | disclosed |
| EP-0755374-A4 | PROCESS FOR PEPTIDE SEGMENT CONDENSATION | MERCK & CO INC (US) | 1998-09-16 | — | — | EP | disclosed |
| US-5665882-A | Pyridyl ethylation of lactams | MERCK & CO., INC. (US) | 1997-09-09 | — | — | US | disclosed |
| EP-0755374-A1 | PROCESS FOR PEPTIDE SEGMENT CONDENSATION | Merck & Co., Inc. (a New Jersey corp.) (US) | 1997-01-29 | — | — | EP | disclosed |
| WO-1995027727-A2 | PROCESS FOR PEPTIDE SEGMENT CONDENSATION | MERCK & CO., INC. (US) | 1995-10-19 | — | — | WO | disclosed |
| WO-1995025101-A1 | PYRIDIL ETHYLATION OF LACTAMS | MERCK & CO., INC. (US) | 1995-09-21 | — | — | WO | disclosed |