Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARA | P10276 | 5/20 | 0.43 |
| ▸ | RARB | P10826 | 4/20 | 0.43 |
| ▸ | RARG | P13631 | 4/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL566401 | 0.99 | RARB (0.42) | RARARARBRARGCYP3A4MEN1 | |
| SCHEMBL566419 | 0.90 | RARB (0.51) | RARARARBRARGCYP3A4MEN1 | |
| Hydrochloric Acid SCHEMBL566817 | 0.89 | RARB (0.50) | RARARARBRARGCYP3A4MEN1 | |
| SCHEMBL10139270 | 0.81 | RARA (0.45) | RARARARBRARGCYP3A4MEN1 | |
| SCHEMBL10171810 | 0.80 | S1PR3 (0.37) | CYP3A4ALOX15S1PR3CYP2C8CYP2D6 | |
| SCHEMBL10139272 | 0.80 | S1PR1 (0.39) | RARARARBRARGCYP3A4MEN1 | |
| Hydrochloric Acid SCHEMBL566087 | 0.79 | S1PR1 (0.39) | RARARARBRARGCYP3A4MEN1 | |
| SCHEMBL566429 | 0.77 | S1PR1 (0.60) | CYP3A4S1PR3CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL13380473 | 0.76 | S1PR3 (0.36) | CYP3A4ALOX15S1PR3CYP2C8CYP2D6 | |
| Hydrochloric Acid SCHEMBL567052 | 0.76 | S1PR1 (0.59) | CYP3A4S1PR3CYP2C8CYP2D6CYP2C9 |
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-2010042998-A1 | S1P RECEPTORS MODULATORS | AKAAL PHARMA PTY LTD (AU) | 2010-04-22 | — | — | WO | claimed |