Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 5/20 | 0.41 |
| ▸ | FAAH | O00519 | 3/20 | 0.41 |
| ▸ | CES2 | O00748 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 7/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 5/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.33 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | XBP1 | P17861 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6429598 | 0.88 | CYP2D6 (0.35) | CES1FAAHCES2LMNAHSD17B10 | |
| SCHEMBL6429593 | 0.88 | CYP2D6 (0.35) | CES1FAAHCES2LMNAHSD17B10 | |
| SCHEMBL7477026 | 0.72 | FAAH (0.47) | CES1FAAHCES2CA2TP53 | |
| Thiourea SCHEMBL27533229 | 0.72 | CA2 (0.46) | CES1FAAHCES2CA2TP53 | |
| SCHEMBL4314502 | 0.71 | FAAH (0.56) | CES1FAAHCES2CA2TP53 | |
| SCHEMBL10983897 | 0.70 | CES1 (0.50) | CES1FAAHCES2CA2TP53 | |
| SCHEMBL4592216 | 0.70 | POLB (0.55) | CES1FAAHCES2CA2ALDH1A1 | |
| SCHEMBL52570 | 0.69 | CA2 (0.52) | CES1FAAHCES2CA2TP53 | |
| SCHEMBL4666763 | 0.69 | FAAH (0.59) | CES1FAAHCES2CA2TP53 | |
| SCHEMBL4668255 | 0.69 | FAAH (0.59) | CES1FAAHCES2CA2TP53 |
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-0724435-A1 | AMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | G.D. SEARLE & CO. (US) | 1996-08-07 | — | — | EP | claimed |
| WO-1995011014-A1 | AMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | G.D. SEARLE & CO. (US) | 1995-04-27 | — | — | WO | claimed |