Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 12/20 | 0.63 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | SLC6A4 | P31645 | 6/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
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 SCHEMBL9391402 | 0.99 | TACR1 (0.61) | TACR1LMNASLC6A4ALDH1A1L3MBTL1 | |
| SCHEMBL9189915 | 0.89 | TACR1 (0.58) | TACR1SLC6A4KCNH2 | |
| SCHEMBL8920011 | 0.80 | TACR1 (0.62) | TACR1SLC6A4KCNH2 | |
| Hydrochloric Acid SCHEMBL8921015 | 0.79 | TACR1 (0.61) | TACR1SLC6A4KCNH2 | |
| Hydrochloric Acid SCHEMBL8824393 | 0.79 | TACR1 (0.78) | TACR1SLC6A4KCNH2 | |
| SCHEMBL2811089 | 0.79 | TACR1 (0.53) | TACR1SLC6A4 | |
| SCHEMBL8824356 | 0.77 | TACR1 (1.00) | TACR1SLC6A4KCNH2 | |
| SCHEMBL5568764 | 0.77 | LMNA (0.55) | TACR1LMNAALDH1A1L3MBTL1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL8824383 | 0.76 | TACR1 (0.98) | TACR1SLC6A4KCNH2 | |
| SCHEMBL6532385 | 0.75 | TACR1 (1.00) | TACR1KCNH2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0673367-A1 | 4-AMINOMETHYL/THIOMETHYL/SULFONYLMETHYL-4-PHENYLPIPERIDINES AS TACHYKININ RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LTD. (GB) | 1995-09-27 | — | — | EP | claimed |
| US-5661162-A | 4-aminomethyl/thiomethyl/sulfonylmethyl-4-phenylpiperdines as tachykinin receptor antagonists | MERCK SHARP & DOHME LIMITED (GB) | 1997-08-26 | — | — | US | disclosed |
| WO-1994013639-A1 | 4-AMINOMETHYL/THIOMETHYL/SULFONYLMETHYL-4-PHENYLPIPERIDINES AS TACHYKININ RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 1994-06-23 | — | — | WO | disclosed |