Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 2/20 | 0.41 |
| ▸ | PLK1 | P53350 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.39 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.39 |
| ▸ | PLAU | P00749 | 2/20 | 0.38 |
| ▸ | F2 | P00734 | 1/20 | 0.38 |
| ▸ | PLG | P00747 | 1/20 | 0.38 |
| ▸ | PLAT | P00750 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL19007619 | 0.79 | LMNA (0.40) | ALDH1A1SMN1; SMN2ADRA2BKCNH2F2 | |
| SCHEMBL23965631 | 0.78 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2IDO1PLK1TAS1R3 | |
| SCHEMBL6485939 | 0.73 | ALDH1A1 (0.56) | ALDH1A1SMN1; SMN2IDO1PLK1TAS1R3 | |
| SCHEMBL26216411 | 0.73 | PRSS1 (0.55) | ALDH1A1SMN1; SMN2TAS1R3TAS1R1PRSS1 | |
| SCHEMBL10308978 | 0.72 | ALDH1A1 (0.54) | ALDH1A1SMN1; SMN2IDO1PLK1TAS1R3 | |
| SCHEMBL13944771 | 0.70 | ALDH1A1 (0.52) | ALDH1A1SMN1; SMN2IDO1PLK1TAS1R3 | |
| SCHEMBL1696572 | 0.70 | PRSS1 (0.64) | ALDH1A1SMN1; SMN2IDO1PLAUF2 | |
| SCHEMBL22901598 | 0.69 | TAS1R3 (0.44) | ALDH1A1SMN1; SMN2IDO1PLK1CHRM2 | |
| Hydrochloric Acid SCHEMBL11567719 | 0.68 | PRSS1 (0.61) | ALDH1A1SMN1; SMN2IDO1PLAUF2 | |
| SCHEMBL3129690 | 0.67 | ALDH1A1 (0.59) | ALDH1A1SMN1; SMN2PLK1CHRM2CYP2D6 |
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-2023114822-A1 | BENZOTHIAZOLE, BENZOISOXAZOLE AND BENZODIOXOLE ANALOGS AS RXFP1 RECEPTOR AGONISTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2023-06-22 | — | — | WO | disclosed |