Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 3/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | LDHA | P00338 | 1/20 | 0.35 |
| ▸ | LDHB | P07195 | 1/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.34 |
| ▸ | PPARA | Q07869 | 1/20 | 0.34 |
| ▸ | ACLY | P53396 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | ELANE | P08246 | 1/20 | 0.33 |
| ▸ | AHR | P35869 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | SELPLG | Q14242 | 1/20 | 0.32 |
| ▸ | THRA | P10827 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL9811656 | 0.84 | TDP1 (0.38) | TDP1GABRA1GABRB1PPARAELANE | |
| SCHEMBL9797363 | 0.76 | TSHR (0.46) | TDP1ACLYMEN1RAB9AKMT2A | |
| SCHEMBL9811748 | 0.76 | ALDH1A1 (0.36) | ALOX15TDP1GABRA1GABRB1PPARA | |
| SCHEMBL9811683 | 0.76 | GAA (0.46) | TDP1CYP1A2CYP2C19THRB | |
| SCHEMBL9797399 | 0.72 | GABRA1 (0.50) | ALOX15GABRA1GABRB1ACLYCYP1A2 | |
| SCHEMBL17663545 | 0.71 | MAPT (0.35) | TDP1ACLYCYP1A2CYP2C19AHR | |
| SCHEMBL2708161 | 0.70 | CYP1A2 (0.56) | ALOX15TDP1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL3400325 | 0.69 | GABRA1 (0.61) | ALOX15TDP1GABRA1GABRB1CYP1A2 | |
| SCHEMBL28921963 | 0.69 | CYP1A2 (0.54) | ALOX15TDP1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL4642224 | 0.69 | VCAM1 (0.40) | TDP1ACLYCYP1A2CYP2C9MEN1 |
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-5064861-A | ACYLATED AMINE COMPOUNDS WHICH ARE USEFUL FUNGICIGAL AGENTS | ROUSSEL UCLAF (FR) | 1991-11-12 | — | — | US | disclosed |