Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.68 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.68 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.59 |
| ▸ | LMNA | P02545 | 2/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.59 |
| ▸ | KDR | P35968 | 1/20 | 0.56 |
| ▸ | F2R | P25116 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 3/20 | 0.54 |
| ▸ | HTT | P42858 | 3/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 3/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | TP53 | P04637 | 2/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 3/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL3744047 | 0.95 | ALDH1A1 (0.66) | ALDH1A1ADRB2BCAT2CYP3A4CYP2C19 | |
| SCHEMBL5595491 | 0.90 | ALDH1A1 (0.71) | ALDH1A1ADRB2BCAT2CYP3A4CYP2C19 | |
| SCHEMBL30742579 | 0.90 | TRPV1 (0.56) | ALDH1A1ADRB2BCAT2CYP3A4CYP2C19 | |
| SCHEMBL19259498 | 0.85 | BCAT2 (0.72) | ALDH1A1ADRB2BCAT2CYP3A4CYP2C19 | |
| SCHEMBL4054015 | 0.82 | HTT (0.50) | ALDH1A1ADRB2CYP3A4TRPV1KDM4E | |
| SCHEMBL6192086 | 0.82 | PLK1 (0.51) | ALDH1A1ADRB2CYP3A4KDM4ELMNA | |
| SCHEMBL11148178 | 0.82 | HTT (0.50) | ALDH1A1ADRB2CYP3A4TRPV1KDM4E | |
| SCHEMBL1072315 | 0.82 | ALDH1A1 (0.73) | ALDH1A1ADRB2BCAT2CYP3A4CYP2C19 | |
| SCHEMBL12468814 | 0.81 | AVPR2 (0.53) | ALDH1A1TRPV1KDM4ESMN1; SMN2HPGD | |
| Hydrochloric Acid SCHEMBL27354499 | 0.81 | PLK1 (0.50) | ALDH1A1ADRB2CYP3A4KDM4ELMNA |
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-1546150-A1 | BIOLOGICALLY ACTIVE COMPOUNDS | Amura Therapeutics Limited (GB) | 2005-06-29 | — | — | EP | disclosed |
| WO-2004007501-A1 | BIOLOGICALLY ACTIVE COMPOUNDS | AMURA THERAPEUTICS LIMITED (GB) | 2004-01-22 | — | — | WO | disclosed |