Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 3/20 | 0.60 |
| ▸ | THRA | P10827 | 3/20 | 0.55 |
| ▸ | THRB | P10828 | 3/20 | 0.55 |
| ▸ | CA12 | O43570 | 1/20 | 0.54 |
| ▸ | CA1 | P00915 | 1/20 | 0.54 |
| ▸ | CA2 | P00918 | 1/20 | 0.54 |
| ▸ | CA9 | Q16790 | 1/20 | 0.54 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.52 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.52 |
| ▸ | SPHK1 | Q9NYA1 | 8/20 | 0.50 |
| ▸ | GHSR | Q92847 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.48 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL13246814 | 0.81 | CA12 (0.61) | S1PR1THRATHRBCA12CA1 | |
| SCHEMBL27905675 | 0.81 | CA12 (0.76) | S1PR1THRATHRBCA12CA1 | |
| SCHEMBL15093871 | 0.81 | CA12 (0.76) | S1PR1THRATHRBCA12CA1 | |
| SCHEMBL15093620 | 0.81 | CA12 (0.76) | S1PR1THRATHRBCA12CA1 | |
| SCHEMBL11352018 | 0.81 | CA12 (0.76) | S1PR1THRATHRBCA12CA1 | |
| SCHEMBL11349336 | 0.81 | CA12 (0.76) | S1PR1THRATHRBCA12CA1 | |
| SCHEMBL11361435 | 0.81 | CA12 (0.76) | S1PR1THRATHRBCA12CA1 | |
| SCHEMBL15093429 | 0.81 | CA12 (0.76) | S1PR1THRATHRBCA12CA1 | |
| SCHEMBL11353893 | 0.81 | CA12 (0.76) | S1PR1THRATHRBCA12CA1 | |
| SCHEMBL15094111 | 0.81 | CA12 (0.76) | S1PR1THRATHRBCA12CA1 |
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-8680282-B2 | Cyclic inhibitors of carnitine palmitoyltransferase and treating cancer | UNIVERSITY HEALTH NETWORK (CA) | 2014-03-25 | — | — | US | disclosed |