Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.68 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.68 |
| ▸ | TSHR | P16473 | 2/20 | 0.68 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | GFER | P55789 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL20669705 | 0.84 | TSHR (0.49) | ALDH1A1TDP1TSHRMAPK1HPGD | |
| SCHEMBL13451413 | 0.81 | ALDH1A1 (0.62) | ALDH1A1TDP1TSHRHPGDLMNA | |
| SCHEMBL27362667 | 0.81 | ALDH1A1 (0.62) | ALDH1A1TDP1TSHRHPGDLMNA | |
| SCHEMBL27363104 | 0.81 | ALDH1A1 (0.62) | ALDH1A1TDP1TSHRHPGDPOLB | |
| SCHEMBL13761382 | 0.81 | ALDH1A1 (0.54) | ALDH1A1TDP1TSHRMAPK1HPGD | |
| SCHEMBL7074467 | 0.81 | ALDH1A1 (1.00) | ALDH1A1TDP1TSHRHPGDLMNA | |
| SCHEMBL13631426 | 0.78 | HPGD (0.71) | TSHRMAPK1HPGDPOLBHTT | |
| SCHEMBL29332952 | 0.76 | MAPK1 (0.50) | ALDH1A1TDP1TSHRMAPK1HPGD | |
| SCHEMBL13753317 | 0.76 | ALDH1A1 (0.73) | ALDH1A1TDP1MAPK1HPGDLMNA | |
| SCHEMBL28791562 | 0.75 | TDP1 (0.58) | ALDH1A1TDP1TSHRLMNAMAPT |
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-2024050433-A1 | ALLOSTERIC MODULATORS OF ANDROGEN RECEPTOR COACTIVATOR RECRUITMENT FOR CRPC THERAPY | UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) | 2024-03-07 | — | — | WO | disclosed |