Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.41 |
| ▸ | BAD | Q92934 | 1/20 | 0.39 |
| ▸ | CDK2 | P24941 | 2/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | EDNRA | P25101 | 4/20 | 0.32 |
| ▸ | BCHE | P06276 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | EGFR | P00533 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.31 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | RAD52 | P43351 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7424229 | 0.76 | BAD (0.44) | ABCG2BADCDK2PKMTSHR | |
| SCHEMBL403982 | 0.67 | BAD (0.49) | ABCG2BADCDK2PKMTSHR | |
| SCHEMBL30400843 | 0.67 | BAD (0.49) | ABCG2BADCDK2PKMTSHR | |
| SCHEMBL3789751 | 0.67 | CYP2B6 (0.41) | CYP1A2CYP1A1 | |
| SCHEMBL578709 | 0.65 | CYP2A6 (0.32) | TSHRALDH1A1CYP1A2HSD17B10 | |
| SCHEMBL15984216 | 0.64 | BAD (0.46) | ABCG2BADCDK2PKMTSHR | |
| SCHEMBL28003427 | 0.64 | ABCG2 (0.43) | ABCG2BADCDK2PKMTSHR | |
| SCHEMBL3789752 | 0.63 | — | — | |
| SCHEMBL9871797 | 0.63 | BAD (0.53) | ABCG2BADPKMTSHRBCHE | |
| SCHEMBL3247520 | 0.63 | CDK2 (0.35) | ABCG2CDK2TSHRKDM4EALDH1A1 |
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-0283310-B1 | N-BENZHYDRYL-SUBSTITUTED HETEROCYCLIC DERIVATIVES, THEIR PREPARATION AND THEIR USE | Sankyo Company Limited (JP) | 1993-05-26 | — | — | EP | disclosed |
| US-5028610-A | Calcium Channel Blockers | SANKYO COMPANY LIMITED (JP) | 1991-07-02 | — | — | US | disclosed |
| EP-0283310-A1 | N-Benzhydryl-substituted heterocyclic derivatives, their preparation and their use | Sankyo Company Limited (JP) | 1988-09-21 | — | — | EP | disclosed |