Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 5/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.50 |
| ▸ | NPC1 | O15118 | 3/20 | 0.50 |
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 2/20 | 0.49 |
| ▸ | EGFR | P00533 | 1/20 | 0.47 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.47 |
| ▸ | KDM1A | O60341 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | BCHE | P06276 | 2/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.44 |
| ▸ | GRIN2B | Q13224 | 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 | |
|---|---|---|---|---|
| SCHEMBL10399481 | 0.91 | GRIN1 (0.54) | ARSMN1; SMN2NPC1RAB9AALDH1A1 | |
| SCHEMBL10398571 | 0.87 | CYP1A2 (0.50) | ARSMN1; SMN2NPC1RAB9AALDH1A1 | |
| SCHEMBL10400090 | 0.81 | KDM1A (0.52) | SMN1; SMN2ALDH1A1MAPTALOX12GAA | |
| SCHEMBL10398545 | 0.80 | CYP26A1 (0.50) | ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL10399768 | 0.79 | TAOK1 (0.55) | ARSMN1; SMN2NPC1RAB9AHPGD | |
| SCHEMBL12614692 | 0.77 | LTA4H (0.55) | ARSMN1; SMN2NPC1RAB9AMAPT | |
| Hydrochloric Acid SCHEMBL27903791 | 0.76 | LTA4H (0.54) | ARSMN1; SMN2NPC1RAB9AMAPT | |
| SCHEMBL11851549 | 0.76 | CA1 (0.57) | GRIN1GRIN2BKMT2A | |
| SCHEMBL10399740 | 0.75 | ALDH1A1 (0.47) | ARSMN1; SMN2NPC1RAB9AALDH1A1 | |
| SCHEMBL12472053 | 0.72 | FAAH (0.59) | HRH3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4975461-A | Enzymes/oxidoreductases/inhibitors | E. R. SQUIBB & SONS, INC. (US) | 1990-12-04 | — | — | US | disclosed |