Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PCNA | P12004 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | GFER | P55789 | 1/20 | 0.41 |
| ▸ | CDC25B | P30305 | 1/20 | 0.39 |
| ▸ | CASP6 | P55212 | 1/20 | 0.39 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.39 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29902856 | 0.84 | GAA (0.47) | PCNAGAAALDH1A1KDM4EMAPT | |
| SCHEMBL10663556 | 0.84 | GAA (0.47) | PCNAGAAALDH1A1KDM4EMAPT | |
| SCHEMBL5089874 | 0.81 | GAA (0.58) | PCNAGAAALDH1A1KDM4EMAPT | |
| SCHEMBL16042637 | 0.80 | ALDH1A1 (0.41) | GAAALDH1A1KDM4EMAPTHPGD | |
| SCHEMBL7974514 | 0.80 | ALDH1A1 (0.64) | GAAALDH1A1KDM4EMAPTHPGD | |
| SCHEMBL29809190 | 0.80 | ALDH1A1 (0.41) | GAAALDH1A1KDM4EMAPTHPGD | |
| SCHEMBL2729682 | 0.79 | HPGD (0.50) | PCNAGAAALDH1A1KDM4EMAPT | |
| SCHEMBL10665226 | 0.75 | LMNA (0.49) | ALDH1A1MAPTALOX15TSHRKMT2A | |
| SCHEMBL1632446 | 0.74 | LMNA (0.51) | ALDH1A1HPGDTSHRGFERKMT2A | |
| SCHEMBL18307178 | 0.74 | LMNA (0.47) | PCNAGAAALDH1A1KDM4EHPGD |
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 |
|---|---|---|---|---|---|---|---|
| US-5583149-A | TREATING VASCULAR HEADACHES | BRISTOL-MYERS SQUIBB COMPANY (US) | 1996-12-10 | — | — | US | disclosed |
| US-5468768-A | FOR TREATING VASCULAR HEADACHES | BRISTOL-MYERS SQUIBB COMPANY (US) | 1995-11-21 | — | — | US | disclosed |
| EP-0666258-A1 | Indolylcycloaklanylamin- und Indolylcycloalkenylamine derivatives, their preparation and their use as anti-migraine agents | Bristol-Myers Squibb Company (US) | 1995-08-09 | — | — | EP | disclosed |