Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.58 |
| ▸ | ABL1 | P00519 | 2/20 | 0.58 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.58 |
| ▸ | BCR | P11274 | 2/20 | 0.58 |
| ▸ | MAOB | P27338 | 3/20 | 0.57 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.55 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.55 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.55 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.55 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.55 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.55 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.55 |
| ▸ | CYP2A7 | P20853 | 1/20 | 0.55 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL30610970 | 1.00 | ALDH1A3 (0.58) | ALDH1A3ABL1ABCB1BCRMAOB | |
| SCHEMBL1180343 | 0.89 | ABL1 (0.69) | ABL1ABCB1BCRMAOBCYP1A2 | |
| SCHEMBL15624598 | 0.86 | NFE2L2 (0.59) | ABL1ABCB1BCRMAOBNFE2L2 | |
| SCHEMBL792197 | 0.85 | ABL1 (0.77) | ABL1ABCB1BCRMAOBCYP1A2 | |
| SCHEMBL13247865 | 0.85 | ABL1 (0.64) | ABL1ABCB1BCRMAOBCYP1A2 | |
| SCHEMBL1180412 | 0.85 | ABL1 (0.77) | ABL1ABCB1BCRMAOBCYP1A2 | |
| SCHEMBL29489425 | 0.85 | CYP3A4 (0.73) | ABL1ABCB1BCRMAOBCYP1A2 | |
| SCHEMBL196765 | 0.85 | CYP3A4 (0.73) | ABL1ABCB1BCRMAOBCYP1A2 | |
| SCHEMBL26226381 | 0.84 | CYP1A1 (0.61) | ABL1ABCB1BCRMAOBNFE2L2 | |
| SCHEMBL1181204 | 0.83 | ABL1 (0.81) | ABL1ABCB1BCRMAOBCYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022076820-A1 | TRUXILLIC ACID MONOESTER-DERIVATIVES AS SELECTIVE FABP5 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) | 2022-04-14 | — | — | WO | disclosed |