Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NUDT1 | P36639 | 2/20 | 0.57 |
| ▸ | TLR8 | Q9NR97 | 3/20 | 0.50 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.42 |
| ▸ | CDK1 | P06493 | 2/20 | 0.41 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.41 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.41 |
| ▸ | CDK2 | P24941 | 1/20 | 0.41 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.41 |
| ▸ | DHFR | P00374 | 6/20 | 0.41 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL18072508 | 0.89 | NUDT1 (0.61) | NUDT1TLR8MCHR1CDK1CCNB1 | |
| SCHEMBL7101497 | 0.85 | NUDT1 (0.50) | NUDT1TLR8 | |
| SCHEMBL18072382 | 0.82 | NUDT1 (0.57) | NUDT1TLR8 | |
| SCHEMBL11036646 | 0.81 | NUDT1 (0.65) | NUDT1TLR8CCNA2CDK2CCNA1 | |
| SCHEMBL7783352 | 0.80 | MAPK8 (0.46) | NUDT1TLR8MCHR1 | |
| SCHEMBL6918344 | 0.80 | CYP3A4 (0.39) | NUDT1TLR8MCHR1 | |
| SCHEMBL31201109 | 0.80 | NUDT1 (0.59) | NUDT1 | |
| SCHEMBL18072383 | 0.80 | NUDT1 (0.55) | NUDT1TLR8 | |
| Diaminopyrimidine SCHEMBL28252180 | 0.79 | TLR8 (0.47) | NUDT1TLR8MCHR1CDK1CCNB1 | |
| SCHEMBL31403790 | 0.78 | NUDT1 (0.57) | NUDT1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005097113-A2 | 5-HT2B RECEPTOR ANTAGONISTS | PHARMAGENE LABORATORIES LIMITED (GB) | 2005-10-20 | — | — | WO | disclosed |
| US-4980510-A | REACTING A SUBSTITUTED HALOBENZENE WITH SODIUM HYDROSULFIDE OR SODIUM SULFIDE AND ACIDIFICATION | BAYER AKTIENGESELLSCHAFT (DE) | 1990-12-25 | — | — | US | disclosed |