Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | AR | P10275 | 6/20 | 0.40 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.40 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.40 |
| ▸ | XDH | P47989 | 2/20 | 0.38 |
| ▸ | F11 | P03951 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.36 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4595417 | 0.83 | MAOB (0.48) | ALDH1A1ARIMPDH2FFAR1XDH | |
| SCHEMBL4324068 | 0.83 | ALDH1A1 (0.58) | ALDH1A1ARF11MAOBHPGD | |
| SCHEMBL5271103 | 0.83 | AAK1 (0.43) | ALDH1A1XDHMAOBHPGDKDM4E | |
| SCHEMBL4595012 | 0.79 | PTPN1 (0.45) | ALDH1A1ARHPGDKDM4EUSP2 | |
| SCHEMBL5970515 | 0.78 | SMN1; SMN2 (0.47) | ALDH1A1HPGDKDM4ENPC1TP53 | |
| SCHEMBL3375489 | 0.77 | MAOB (0.45) | ALDH1A1ARIMPDH2FFAR1MAOB | |
| SCHEMBL9034189 | 0.76 | AR (0.43) | ALDH1A1ARIMPDH2FFAR1XDH | |
| SCHEMBL27699733 | 0.75 | MRGPRX4 (0.43) | ALDH1A1HPGDKDM4EUSP2NPC1 | |
| SCHEMBL5263671 | 0.74 | SSTR4 (0.40) | ALDH1A1IMPDH2MAOBHPGDKDM4E | |
| SCHEMBL1003862 | 0.74 | ALDH1A1 (0.46) | ALDH1A1ARFFAR1MAOBKDM4E |
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-1945646-A1 | PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS | Cellzome (UK) Ltd. (GB) | 2008-07-23 | — | — | EP | disclosed |
| WO-2007039467-A1 | PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS | CELLZOME (UK) LTD. (GB) | 2007-04-12 | — | — | WO | disclosed |