Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.35 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.35 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | PKM | P14618 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.33 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.33 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7592861 | 0.84 | NPC1 (0.37) | NPC1RAB9ACYP1A2CYP1B1CYP1A1 | |
| SCHEMBL7596886 | 0.81 | NQO2 (0.36) | NPC1RAB9AALDH1A1SMN1; SMN2HPGD | |
| SCHEMBL14337991 | 0.77 | MAPT (0.35) | NPC1RAB9AALDH1A1POLBSMN1; SMN2 | |
| SCHEMBL5387906 | 0.73 | KMT2A (0.43) | NPC1RAB9AALDH1A1POLBPKM | |
| SCHEMBL5382711 | 0.72 | CASP3 (0.34) | ALDH1A1POLBMAPTHTTKMT2A | |
| SCHEMBL6320203 | 0.72 | RAB9A (0.37) | NPC1RAB9AALDH1A1POLBPKM | |
| SCHEMBL5391917 | 0.71 | KMT2A (0.38) | RAB9AALDH1A1POLBSMN1; SMN2HPGD | |
| SCHEMBL7599038 | 0.70 | NPC1 (0.37) | NPC1RAB9AALDH1A1POLBSMN1; SMN2 | |
| SCHEMBL7594183 | 0.70 | HSP90AA1 (0.37) | NPC1RAB9AALDH1A1PTGS2SMN1; SMN2 | |
| SCHEMBL7596639 | 0.69 | NPC1 (0.50) | NPC1RAB9ACYP1A2ABCG2ALDH1A1 |
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-0850945-B1 | Chiral diphosphine compound, intermediate for preparing the same, transition metal complex having the same diphosphine compound as ligand and asymmetric hydrogenation catalyst | TAKASAGO PERFUMERY CO LTD (JP) | 2002-11-27 | — | — | EP | disclosed |
| US-5872273-A | LIGANDS FOR FORMING HYDROGENATION CATALYST COMPLEXES | TAKASAGO INTERNATIONAL CORPORATION (JP) | 1999-02-16 | — | — | US | disclosed |
| EP-0850945-A1 | Chiral diphosphine compound, intermediate for preparing the same, transition metal complex having the same diphosphine compound as ligand and asymmetric hydrogenation catalyst | Takasago International Corporation (JP) | 1998-07-01 | — | — | EP | disclosed |