Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD4 | P21917 | 1/20 | 0.54 |
| ▸ | AURKA | O14965 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.49 |
| ▸ | MDM2 | Q00987 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.45 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | POLQ | O75417 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL654170 | 0.76 | DRD4 (0.63) | DRD4AURKAKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL12359040 | 0.76 | DRD4 (0.67) | DRD4AURKAKDM4EALDH1A1TSHR | |
| SCHEMBL10282320 | 0.76 | DRD4 (0.67) | DRD4AURKAKDM4EALDH1A1POLB | |
| SCHEMBL5507121 | 0.76 | ALDH1A1 (0.52) | KDM4EALDH1A1TSHRPOLBSMN1; SMN2 | |
| SCHEMBL3577293 | 0.75 | DRD4 (0.64) | DRD4AURKAKDM4EALDH1A1HTT | |
| SCHEMBL5656405 | 0.74 | KMT2A (0.61) | DRD4KDM4EMDM2ALDH1A1TSHR | |
| SCHEMBL19231633 | 0.73 | DRD4 (0.62) | DRD4AURKAALDH1A1POLBPOLQ | |
| SCHEMBL30860308 | 0.73 | MELK (0.54) | DRD4KDM4EALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL10244827 | 0.73 | DRD4 (0.62) | DRD4AURKAKDM4EALDH1A1POLB | |
| SCHEMBL5504026 | 0.73 | HDAC3 (0.63) | KDM4EALDH1A1P2RY12HDAC3HDAC4 |
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-7176310-B1 | Pyrimidinecarboxamide derivatives and their use as anti-inflammatory agents | UCB SA (GB) | 2007-02-13 | — | — | US | disclosed |