Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 10/20 | 0.61 |
| ▸ | TP53 | P04637 | 2/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.61 |
| ▸ | TSHR | P16473 | 2/20 | 0.61 |
| ▸ | MEN1 | O00255 | 2/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.61 |
| ▸ | MAPT | P10636 | 1/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.61 |
| ▸ | THPO | P40225 | 1/20 | 0.61 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.61 |
| ▸ | GMNN | O75496 | 1/20 | 0.60 |
| ▸ | LMNA | P02545 | 1/20 | 0.60 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.60 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL8922485 | 1.00 | TACR1 (0.61) | TACR1TP53CYP1A2CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL8539659 | 0.99 | MEN1 (0.62) | TACR1TP53CYP1A2CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL8544520 | 0.99 | MEN1 (0.62) | TACR1TP53CYP1A2CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL9394050 | 0.90 | MEN1 (0.54) | TACR1TP53CYP1A2CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL9394041 | 0.90 | MEN1 (0.54) | TACR1TP53CYP1A2CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL9394046 | 0.90 | MEN1 (0.54) | TACR1TP53CYP1A2CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL8921358 | 0.89 | TACR1 (0.60) | TACR1 | |
| SCHEMBL9390705 | 0.84 | TACR1 (0.44) | TACR1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8107377 | 0.83 | TACR1 (0.61) | TACR1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8107383 | 0.83 | TACR1 (0.61) | TACR1TP53CYP1A2CYP3A4CYP2D6 |
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-0683767-B1 | AZACYCLIC COMPOUNDS, COMPOSITIONS CONTAINING THEM AND THEIR USE AS TACHYKININ ANTAGONISTS | MERCK SHARP & DOHME (GB) | 1998-06-03 | — | — | EP | claimed |
| US-5633266-A | Azacyclic compounds compositions containing them and their use as tachykinin antagonists | MERCK SHARP & DOHME LTD. (GB) | 1997-05-27 | — | — | US | claimed |
| EP-0683767-A1 | AZACYCLIC COMPOUNDS, COMPOSITIONS CONTAINING THEM AND THEIR USE AS TACHYKININ ANTAGONISTS | MERCK SHARP & DOHME LTD. (GB) | 1995-11-29 | — | — | EP | claimed |
| WO-1994019323-A1 | AZACYCLIC COMPOUNDS, COMPOSITIONS CONTAINING THEM AND THEIR USE AS TACHYKININ ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 1994-09-01 | — | — | WO | claimed |
| EP-0683767-B1 | AZACYCLIC COMPOUNDS, COMPOSITIONS CONTAINING THEM AND THEIR USE AS TACHYKININ ANTAGONISTS | MERCK SHARP & DOHME (GB) | 1998-06-03 | — | — | EP | disclosed |
| US-5633266-A | Azacyclic compounds compositions containing them and their use as tachykinin antagonists | MERCK SHARP & DOHME LTD. (GB) | 1997-05-27 | — | — | US | disclosed |
| EP-0683767-A1 | AZACYCLIC COMPOUNDS, COMPOSITIONS CONTAINING THEM AND THEIR USE AS TACHYKININ ANTAGONISTS | MERCK SHARP & DOHME LTD. (GB) | 1995-11-29 | — | — | EP | disclosed |
| WO-1994019323-A1 | AZACYCLIC COMPOUNDS, COMPOSITIONS CONTAINING THEM AND THEIR USE AS TACHYKININ ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 1994-09-01 | — | — | WO | disclosed |