Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.38 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | CASP3 | P42574 | 1/20 | 0.36 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.36 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.36 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10099631 | 0.89 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2CES2CES1ADRB2 | |
| SCHEMBL16573650 | 0.81 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2CES2CES1ADRB2 | |
| SCHEMBL17928591 | 0.80 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2CES2CES1ADRB2 | |
| SCHEMBL7935177 | 0.80 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2CES2CES1ADRB2 | |
| SCHEMBL7709824 | 0.80 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2CES2CES1ADRB2 | |
| Cyclohexylamine SCHEMBL14777771 | 0.79 | ALDH1A1 (0.38) | ALDH1A1CES2CES1 | |
| SCHEMBL26263772 | 0.78 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2CES2CES1ADRB2 | |
| SCHEMBL27831635 | 0.78 | ALDH1A1 (0.45) | ALDH1A1SMN1; SMN2CES2CES1ADRB2 | |
| SCHEMBL11374216 | 0.78 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2CES2CES1ADRB2 | |
| SCHEMBL7713705 | 0.78 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2CES2CES1ADRB2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6242600-B1 | ANTIISCHEMIC AGENTS, ANTICOAGULANTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-06-05 | — | — | US | disclosed |