Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.61 |
| ▸ | TSHR | P16473 | 2/20 | 0.61 |
| ▸ | MCHR1 | Q99705 | 4/20 | 0.55 |
| ▸ | NPC1 | O15118 | 2/20 | 0.54 |
| ▸ | GRM5 | P41594 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 4/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | CCR3 | P51677 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.51 |
| ▸ | USP2 | O75604 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL29363800 | 0.88 | ALDH1A1 (0.72) | ALDH1A1TSHRMCHR1NPC1GRM5 | |
| SCHEMBL4516387 | 0.88 | ALDH1A1 (0.72) | ALDH1A1TSHRMCHR1NPC1GRM5 | |
| SCHEMBL17706078 | 0.88 | ALDH1A1 (0.58) | ALDH1A1TSHRMCHR1NPC1GRM5 | |
| SCHEMBL2468483 | 0.85 | NPC1 (0.71) | ALDH1A1TSHRMCHR1NPC1GRM5 | |
| SCHEMBL17706081 | 0.84 | MCHR1 (0.68) | ALDH1A1MCHR1LMNASMN1; SMN2MAPT | |
| SCHEMBL14246914 | 0.83 | DRD2 (0.64) | ALDH1A1TSHRGRM5LMNASMN1; SMN2 | |
| SCHEMBL14246915 | 0.83 | DRD2 (0.64) | ALDH1A1TSHRGRM5LMNASMN1; SMN2 | |
| SCHEMBL1667825 | 0.80 | RAB9A (0.73) | ALDH1A1TSHRNPC1GRM5LMNA | |
| SCHEMBL17993402 | 0.80 | ALDH1A1 (0.66) | ALDH1A1TSHRLMNAKDM4E | |
| SCHEMBL12893788 | 0.80 | HTR4 (0.48) | ALDH1A1MCHR1NPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2205603-A1 | PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS | Cyclacel Limited (GB) | 2010-07-14 | — | — | EP | disclosed |
| WO-2009040556-A1 | PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS | CYCLACEL LIMITED (GB) | 2009-04-02 | — | — | WO | disclosed |