Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.66 |
| ▸ | IDO1 | P14902 | 2/20 | 0.54 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | BCHE | P06276 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | PGK1 | P00558 | 1/20 | 0.45 |
| ▸ | PGK2 | P07205 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5983768 | 0.90 | AKR1C3 (0.74) | AKR1C3IDO1CA1CA2BCHE | |
| SCHEMBL10766432 | 0.86 | AKR1C3 (0.70) | AKR1C3IDO1CA1CA2BCHE | |
| SCHEMBL4989634 | 0.84 | AKR1C3 (0.50) | AKR1C3IDO1CA1CA2BCHE | |
| SCHEMBL6932050 | 0.83 | AKR1C3 (0.70) | AKR1C3IDO1CA1CA2BCHE | |
| SCHEMBL1542660 | 0.82 | CA1 (0.65) | AKR1C3IDO1CA1CA2BCHE | |
| SCHEMBL5983772 | 0.79 | AKR1C3 (0.81) | AKR1C3IDO1CA1CA2LOXL2 | |
| SCHEMBL5069158 | 0.79 | AKR1C3 (1.00) | AKR1C3IDO1CA1CA2LOXL2 | |
| SCHEMBL11544092 | 0.79 | AKR1C3 (0.70) | AKR1C3IDO1CA1CA2BCHE | |
| SCHEMBL4016592 | 0.78 | IDO1 (0.66) | AKR1C3IDO1CA1CA2LOXL2 | |
| SCHEMBL8779946 | 0.77 | AKR1C3 (0.71) | AKR1C3IDO1CA1CA2LOXL2 |
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-4851399-A | Isoquinoline derivatives and their use as anti-cancer agents | GLAXO GROUP LIMITED (GB) | 1989-07-25 | — | — | US | disclosed |