Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 14/20 | 0.56 |
| ▸ | LDHA | P00338 | 2/20 | 0.56 |
| ▸ | LDHB | P07195 | 2/20 | 0.56 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | HPGD | P15428 | 3/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | ALB | P02768 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 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 | |
|---|---|---|---|---|
| SCHEMBL13917710 | 0.94 | AKR1B1 (0.56) | AKR1B1LDHALDHBPOLBALDH1A1 | |
| SCHEMBL2622250 | 0.91 | AKR1B1 (0.66) | AKR1B1LDHALDHBPOLBALDH1A1 | |
| SCHEMBL13446155 | 0.87 | AKR1B1 (0.62) | AKR1B1LDHALDHBPOLBALDH1A1 | |
| SCHEMBL2622251 | 0.68 | AKR1B1 (0.71) | AKR1B1LDHALDHBPOLBALDH1A1 | |
| SCHEMBL2622273 | 0.66 | AKR1B1 (0.48) | AKR1B1LDHALDHBPOLBALDH1A1 | |
| Gossypol Acetic Acid SCHEMBL31607468 | 0.66 | AKR1B1 (0.64) | AKR1B1LDHALDHBPOLBALDH1A1 | |
| Gossypol Acetic Acid SCHEMBL29699445 | 0.66 | AKR1B1 (0.64) | AKR1B1LDHALDHBPOLBALDH1A1 | |
| SCHEMBL2622260 | 0.62 | AKR1B1 (1.00) | AKR1B1LDHALDHBPOLBALDH1A1 | |
| SCHEMBL12554423 | 0.60 | POLB (0.77) | POLBALDH1A1HPGDGAAKDM4E | |
| SCHEMBL22700785 | 0.60 | ALB (0.68) | AKR1B1LDHALDHBPOLBALDH1A1 |
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-7432304-B2 | Small molecule antagonists of Bcl-2 family proteins | THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) | 2008-10-07 | — | — | US | disclosed |