Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 8/20 | 0.49 |
| ▸ | THRB | P10828 | 2/20 | 0.42 |
| ▸ | THRA | P10827 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | DHODH | Q02127 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | GMNN | O75496 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | PIM1 | P11309 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 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 | |
|---|---|---|---|---|
| SCHEMBL3258918 | 0.84 | S1PR1 (0.50) | S1PR1THRBTHRARAB9ANPC1 | |
| SCHEMBL2865408 | 0.82 | S1PR1 (0.49) | S1PR1THRBTHRARAB9ANPC1 | |
| SCHEMBL3260301 | 0.79 | S1PR1 (0.49) | S1PR1THRBTHRAHTTCYP2C9 | |
| SCHEMBL3257407 | 0.79 | S1PR1 (0.50) | S1PR1THRBTHRAHTTCYP2C9 | |
| SCHEMBL3257536 | 0.78 | S1PR1 (0.49) | S1PR1THRBTHRAHTTCYP2C9 | |
| SCHEMBL4518245 | 0.77 | S1PR1 (0.50) | S1PR1THRBTHRARAB9ANPC1 | |
| SCHEMBL3259065 | 0.76 | S1PR1 (0.49) | S1PR1THRBTHRARAB9ANPC1 | |
| SCHEMBL3258562 | 0.74 | S1PR1 (0.44) | S1PR1RAB9ANPC1SMN1; SMN2TP53 | |
| SCHEMBL3260070 | 0.71 | S1PR1 (0.47) | S1PR1THRBTHRA | |
| SCHEMBL2861336 | 0.70 | S1PR1 (0.52) | S1PR1THRBTHRARAB9ANPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1747196-B1 | SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION | ACHILLION PHARMACEUTICALS INC (US) | 2010-02-10 | — | — | EP | claimed |