Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.58 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.56 |
| ▸ | CCR4 | P51679 | 1/20 | 0.51 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | MAOA | P21397 | 1/20 | 0.49 |
| ▸ | MAOB | P27338 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.48 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.48 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.48 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | CNR2 | P34972 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL2592830 | 1.00 | SPHK1 (0.58) | SPHK1NPSR1CCR4SCN3AALDH1A1 | |
| SCHEMBL3055319 | 1.00 | SPHK1 (0.58) | SPHK1NPSR1CCR4SCN3AALDH1A1 | |
| SCHEMBL408685 | 0.89 | SPHK1 (0.71) | SPHK1NPSR1CCR4SCN3AMAOA | |
| SCHEMBL408684 | 0.89 | SPHK1 (0.71) | SPHK1NPSR1CCR4SCN3AMAOA | |
| SCHEMBL5154674 | 0.89 | SPHK1 (0.71) | SPHK1NPSR1CCR4SCN3AMAOA | |
| SCHEMBL2587055 | 0.89 | CYP1A2 (0.60) | SPHK1NPSR1CCR4CYP1A2OPRL1 | |
| SCHEMBL1972076 | 0.89 | CYP1A2 (0.60) | SPHK1NPSR1CCR4CYP1A2OPRL1 | |
| SCHEMBL27801286 | 0.89 | NPSR1 (0.57) | SPHK1NPSR1CCR4SCN3AALDH1A1 | |
| SCHEMBL1819248 | 0.89 | CYP1A2 (0.60) | SPHK1NPSR1CCR4CYP1A2OPRL1 | |
| Hydrochloric Acid SCHEMBL28533309 | 0.88 | SPHK1 (0.70) | SPHK1NPSR1CCR4SCN3AMAOA |
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-2247600-A2 | BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) | Lead Therapeutics, Inc. (US) | 2010-11-10 | — | — | EP | disclosed |
| WO-2009099736-A2 | BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) | LEAD THERAPEUTICS, INC. (US) | 2009-08-13 | — | — | WO | disclosed |