Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | HRH2 | P25021 | 1/20 | 0.42 |
| ▸ | HRH1 | P35367 | 1/20 | 0.42 |
| ▸ | UCHL1 | P09936 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | KLK7 | P49862 | 1/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7359670 | 0.91 | ALDH1A1 (0.50) | ALDH1A1LMNAMAPTEPHX2NPC1 | |
| SCHEMBL29223888 | 0.81 | CYP1A2 (0.49) | ALDH1A1LMNAMAPTCYP1A2CYP2D6 | |
| SCHEMBL28606669 | 0.80 | NPC1 (0.55) | ALDH1A1LMNAMAPTEPHX2NPC1 | |
| SCHEMBL10722455 | 0.79 | GAA (0.45) | ALDH1A1LMNAMAPTEPHX2NPC1 | |
| SCHEMBL13230378 | 0.79 | NPC1 (0.49) | ALDH1A1LMNAMAPTEPHX2NPC1 | |
| SCHEMBL2439825 | 0.79 | NPC1 (0.49) | ALDH1A1LMNAMAPTEPHX2NPC1 | |
| SCHEMBL6160995 | 0.79 | CYP1A2 (0.44) | ALDH1A1LMNAMAPTCYP1A2CYP2D6 | |
| SCHEMBL20400750 | 0.79 | CYP1A2 (0.44) | ALDH1A1LMNAMAPTCYP1A2CYP2D6 | |
| SCHEMBL21530375 | 0.79 | CYP1A2 (0.44) | ALDH1A1LMNAMAPTCYP1A2CYP2D6 | |
| SCHEMBL10722390 | 0.79 | ALDH1A1 (0.42) | ALDH1A1LMNAMAPTEPHX2NPC1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1129070-A4 | NEUROTROPHIC DIAMIDE AND CARBAMATE AGENTS | BRISTOL MYERS SQUIBB CO (US) | 2005-03-02 | — | — | EP | disclosed |
| EP-1129070-A1 | NEUROTROPHIC DIAMIDE AND CARBAMATE AGENTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2001-09-05 | — | — | EP | disclosed |
| US-6228872-B1 | PEPTIDE-PROLYL ISOMERASE AND ROTAMASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2001-05-08 | — | — | US | disclosed |
| WO-2000027811-A1 | NEUROTROPHIC DIAMIDE AND CARBAMATE AGENTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2000-05-18 | — | — | WO | disclosed |