Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 2/20 | 0.34 |
| ▸ | MAOB | P27338 | 2/20 | 0.34 |
| ▸ | FLT3 | P36888 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.33 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1046247 | 0.84 | ALDH1A1 (0.50) | ALDH1A1KDM4EFGFR3TSHRPKM | |
| SCHEMBL9203057 | 0.80 | ALDH1A1 (0.43) | ALDH1A1HPGDPOLBKDM4EMAPT | |
| SCHEMBL7265579 | 0.77 | PRMT5 (0.43) | ALDH1A1KDM4EMAPT | |
| SCHEMBL10953849 | 0.76 | MAPT (0.45) | ALDH1A1HPGDPOLBKDM4EMAPT | |
| SCHEMBL24094550 | 0.75 | MAPT (0.39) | ALDH1A1KDM4EMAPTFGFR3TSHR | |
| SCHEMBL30340536 | 0.75 | MAPT (0.39) | ALDH1A1KDM4EMAPTFGFR3TSHR | |
| SCHEMBL10711543 | 0.75 | PTGS2 (0.43) | ALDH1A1POLBKDM4ETSHRCYP19A1 | |
| SCHEMBL6035679 | 0.75 | MAOB (0.59) | TSHRMAOBMAPK1 | |
| SCHEMBL16955748 | 0.75 | HPGD (0.43) | ALDH1A1HPGDPOLBKDM4EMAPT | |
| SCHEMBL19120972 | 0.74 | ALDH1A1 (0.42) | ALDH1A1HPGDPOLBKDM4EMAPT |
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-0231003-B1 | BASIC SUBSTITUTED PHENYLACETONITRILES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM | BASF Aktiengesellschaft (DE) | 1993-04-07 | — | — | EP | disclosed |
| US-4968717-A | SEROTONIN-AND CALCIUM-ANTAGONISTS | BASF AKTIENGESELLSCHAFT (DE) | 1990-11-06 | — | — | US | disclosed |