Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.31 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.30 |
| ▸ | TNNC1 | P63316 | 5/20 | 0.30 |
| ▸ | SGPL1 | O95470 | 1/20 | 0.30 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.30 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.30 |
| ▸ | GPR183 | P32249 | 1/20 | 0.30 |
| ▸ | CERS2 | Q96G23 | 1/20 | 0.30 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.30 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10694561 | 0.90 | SPHK2 (0.31) | ALDH1A1SPHK2TNNC1SGPL1S1PR4 | |
| SCHEMBL10394793 | 0.86 | CYP3A4 (0.32) | ALDH1A1CYP3A4 | |
| SCHEMBL9813447 | 0.77 | PPARA (0.38) | ALDH1A1CYP3A4SPHK2TNNC1SGPL1 | |
| SCHEMBL10392875 | 0.75 | VDR (0.31) | — | |
| SCHEMBL9813457 | 0.74 | ALDH1A1 (0.38) | ALDH1A1POLBGAA | |
| SCHEMBL9813462 | 0.72 | THRA (0.32) | SPHK2TNNC1SGPL1S1PR4S1PR1 | |
| SCHEMBL10693312 | 0.72 | SPHK2 (0.31) | SPHK2TNNC1SGPL1S1PR4S1PR1 | |
| SCHEMBL9813434 | 0.70 | NPC1 (0.41) | ALDH1A1CYP3A4 | |
| SCHEMBL9813438 | 0.70 | MEN1 (0.37) | — | |
| SCHEMBL9813439 | 0.70 | TAAR1 (0.35) | ALDH1A1KDM4EPOLBCTDSP1 |
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-4783473-A | ANTICOAGULANTS, VASODILATORS, BRONCHODILATORS | E. R. SQUIBB & SONS, INC. (US) | 1988-11-08 | — | — | US | disclosed |