Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.47 |
| ▸ | HPGD | P15428 | 4/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 7/20 | 0.46 |
| ▸ | NPC1 | O15118 | 6/20 | 0.46 |
| ▸ | CASP1 | P29466 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 4/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | STAT1 | P42224 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2159197 | 0.80 | ATR (0.42) | NPSR1NFKB1NFKB2RELA | |
| SCHEMBL29028879 | 0.74 | HPGD (0.49) | SMN1; SMN2CYP1A2CYP2C19ALDH1A1L3MBTL1 | |
| SCHEMBL2159167 | 0.71 | NPSR1 (0.42) | SMN1; SMN2ALDH1A1L3MBTL1KDM4ENPSR1 | |
| SCHEMBL13456099 | 0.69 | MAPK14 (0.57) | SMN1; SMN2CYP1A2CYP2C19ALDH1A1L3MBTL1 | |
| SCHEMBL2158565 | 0.69 | NPSR1 (0.42) | SMN1; SMN2ALDH1A1L3MBTL1HPGDKDM4E | |
| SCHEMBL6100318 | 0.67 | RAB9A (0.65) | SMN1; SMN2CYP1A2CYP2C19ALDH1A1L3MBTL1 | |
| SCHEMBL994563 | 0.66 | RAB9A (0.55) | SMN1; SMN2CYP1A2CYP2C19ALDH1A1L3MBTL1 | |
| SCHEMBL6256084 | 0.65 | RAB9A (0.52) | SMN1; SMN2CYP1A2CYP2C19ALDH1A1L3MBTL1 | |
| SCHEMBL15552811 | 0.65 | SMN1; SMN2 (0.60) | SMN1; SMN2CYP1A2CYP2C19ALDH1A1L3MBTL1 | |
| SCHEMBL4779529 | 0.65 | ALDH1A1 (0.60) | SMN1; SMN2CYP1A2CYP2C19ALDH1A1L3MBTL1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1656138-A4 | SUBSTITUTED CYCLOALKYAMINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | BRISTOL MYERS SQUIBB CO (US) | 2007-04-18 | — | — | EP | disclosed |
| EP-1656138-A2 | SUBSTITUTED CYCLOALKYAMINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | Bristol-Myers Squibb Company (US) | 2006-05-17 | — | — | EP | disclosed |
| WO-2005020899-A2 | SUBSTITUTED CYCLOALKYAMINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-03-10 | — | — | WO | disclosed |