Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1341780 | 0.92 | CES2 (0.39) | CES2CES1KDM4EUSP2ALDH1A1 | |
| SCHEMBL18214886 | 0.90 | CES2 (0.42) | CES2CES1KDM4EUSP2ALDH1A1 | |
| SCHEMBL18573688 | 0.90 | CES2 (0.42) | CES2CES1KDM4EUSP2ALDH1A1 | |
| SCHEMBL65733 | 0.90 | CES2 (0.42) | CES2CES1KDM4EUSP2ALDH1A1 | |
| SCHEMBL3427267 | 0.90 | CES2 (0.42) | CES2CES1KDM4EUSP2ALDH1A1 | |
| SCHEMBL13543609 | 0.90 | CES2 (0.42) | CES2CES1KDM4EUSP2ALDH1A1 | |
| SCHEMBL1340689 | 0.88 | RIPK1 (0.35) | CES2CES1KDM4EUSP2ALDH1A1 | |
| SCHEMBL17115654 | 0.84 | SMN1; SMN2 (0.31) | CES2CES1SMN1; SMN2MCL1TSHR | |
| SCHEMBL428708 | 0.83 | — | — | |
| SCHEMBL31623264 | 0.83 | HSD11B1 (0.33) | MCL1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0695301-A1 | INDOLE DERIVATIVES AS 5-H1-LIKE AGONISTS FOR USE IN MIGRAINE | PFIZER LTD (GB) | 1996-02-07 | — | — | EP | disclosed |
| WO-1994024127-A1 | INDOLE DERIVATIVES AS 5-H1-LIKE AGONISTS FOR USE IN MIGRAINE | PFIZER LIMITED (GB) | 1994-10-27 | — | — | WO | disclosed |