Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | ACLY | P53396 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.46 |
| ▸ | RELA | Q04206 | 1/20 | 0.46 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.45 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | TACR1 | P25103 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 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 | |
|---|---|---|---|---|
| SCHEMBL6612924 | 0.84 | ALDH1A1 (0.55) | ALDH1A1CYP2C9CYP2C19KMT2AACLY | |
| SCHEMBL8119533 | 0.80 | PTGS1 (0.47) | ALDH1A1CYP2C9CYP2C19KMT2AMAPT | |
| SCHEMBL15508028 | 0.79 | ALDH1A1 (0.56) | ALDH1A1CYP2C9CYP2C19KMT2AACLY | |
| SCHEMBL30132245 | 0.79 | ALDH1A1 (0.56) | ALDH1A1CYP2C9CYP2C19KMT2AACLY | |
| SCHEMBL5193649 | 0.78 | ALDH1A1 (0.53) | ALDH1A1CYP2C9CYP2C19KMT2AACLY | |
| SCHEMBL13838519 | 0.78 | SMN1; SMN2 (0.56) | ALDH1A1CYP2C9CYP2C19KMT2AACLY | |
| SCHEMBL5193554 | 0.75 | TDP1 (0.65) | ALDH1A1CYP2C9CYP2C19KMT2AMAPT | |
| SCHEMBL26817147 | 0.75 | SMN1; SMN2 (0.56) | ALDH1A1CYP2C9CYP2C19KMT2AACLY | |
| SCHEMBL12326165 | 0.74 | MAPT (0.56) | ALDH1A1CYP2C19KMT2AMAPTSMN1; SMN2 | |
| SCHEMBL29697785 | 0.74 | MAPT (0.56) | ALDH1A1CYP2C19KMT2AMAPTSMN1; SMN2 |
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-1019410-A1 | SPIRO-PIPERIDINE DERIVATIVES AND THEIR USE AS TACHYKININ ANTAGONISTS | MERCK SHARP & DOHME LTD. (GB) | 2000-07-19 | — | — | EP | disclosed |
| US-6060469-A | Spiro-piperidine derivatives and their use as tachykinin antagonists | MERCK SHARP & DOHME LTD. (GB) | 2000-05-09 | — | — | US | disclosed |
| WO-1997019084-A1 | SPIRO-PIPERIDINE DERIVATIVES AND THEIR USE AS TACHYKININ ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 1997-05-29 | — | — | WO | disclosed |