Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 4/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.49 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.46 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | XBP1 | P17861 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4946599 | 0.86 | CES2 (0.57) | CES2LMNANPSR1SRD5A2ALDH1A1 | |
| SCHEMBL9200320 | 0.85 | CES2 (0.69) | CES2LMNANPSR1SRD5A2ALDH1A1 | |
| SCHEMBL31406174 | 0.85 | CES2 (0.69) | CES2LMNANPSR1SRD5A2ALDH1A1 | |
| SCHEMBL29381825 | 0.84 | LOXL2 (0.47) | LMNAALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL11468763 | 0.82 | ALDH1A1 (0.55) | CES2LMNANPSR1SRD5A2ALDH1A1 | |
| SCHEMBL9200329 | 0.81 | CES2 (0.62) | CES2LMNANPSR1SRD5A2ALDH1A1 | |
| SCHEMBL28392703 | 0.80 | CES2 (0.61) | CES2LMNANPSR1SRD5A2ALDH1A1 | |
| SCHEMBL311526 | 0.79 | CES2 (0.65) | CES2LMNANPSR1SRD5A2ALDH1A1 | |
| SCHEMBL10960544 | 0.78 | CES2 (0.54) | CES2LMNANPSR1SRD5A2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL310751 | 0.78 | CES2 (0.62) | CES2LMNANPSR1SRD5A2ALDH1A1 |
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-1351924-A2 | DIAMINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | Bristol-Myers Squibb Pharma Company (US) | 2003-10-15 | — | — | EP | disclosed |
| WO-2002050019-A2 | DIAMINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | BRISTOL-MYERS SQUIBB PHARMA CO. (US) | 2002-06-27 | — | — | WO | disclosed |