Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | MPO | P05164 | 1/20 | 0.38 |
| ▸ | DPP4 | P27487 | 2/20 | 0.37 |
| ▸ | TYMS | P04818 | 5/20 | 0.36 |
| ▸ | CDC7 | O00311 | 1/20 | 0.36 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.36 |
| ▸ | DHFR | P00374 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4215783 | 0.79 | TLR7 (0.47) | MPODPP4DHFRCYP1A2CYP3A4 | |
| SCHEMBL14329878 | 0.78 | DHFR (0.51) | NPC1TYMSDHFRCYP1A2CYP3A4 | |
| SCHEMBL9564217 | 0.78 | L3MBTL1 (0.45) | TYMSDHFR | |
| SCHEMBL9564219 | 0.78 | L3MBTL1 (0.45) | TYMSDHFR | |
| SCHEMBL9564240 | 0.78 | DHFR (0.58) | TYMSDHFR | |
| Guanidine SCHEMBL2854796 | 0.74 | TLR7 (0.43) | MPODPP4DHFR | |
| SCHEMBL9564205 | 0.74 | TYMS (0.43) | TYMSDHFR | |
| SCHEMBL2852426 | 0.73 | NPSR1 (0.48) | DPP4DHFR | |
| SCHEMBL9564224 | 0.70 | MAPT (0.37) | NPC1TYMSDHFRCYP3A4 | |
| SCHEMBL9044792 | 0.69 | TYMS (0.51) | NPC1TYMSDHFRCYP1A2CYP3A4 |
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-0549291-A1 | Thymidylate synthase inhibitors | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1993-06-30 | — | — | EP | disclosed |