Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCAT1 | P54687 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 3/20 | 0.42 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | HTT | P42858 | 3/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | PPARA | Q07869 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7447734 | 0.99 | BCAT1 (0.44) | BCAT1GAAKAT6AALDH1A1HTT | |
| SCHEMBL3864255 | 0.79 | ALDH1A1 (0.57) | BCAT1GAAKAT6AALDH1A1HTT | |
| SCHEMBL7815451 | 0.78 | HSD11B1 (0.44) | ALDH1A1CA12CA1CA7CA14 | |
| SCHEMBL28588397 | 0.77 | ALDH1A1 (0.51) | GAAALDH1A1NPSR1SMN1; SMN2CYP2C19 | |
| SCHEMBL7673440 | 0.74 | MEP1B (0.60) | ALDH1A1TBXA2RMAPT | |
| SCHEMBL27464975 | 0.74 | IDO1 (0.46) | GAAALDH1A1HPGDCA12CA1 | |
| SCHEMBL8576412 | 0.73 | ALDH1A1 (0.56) | GAAALDH1A1HTTHPGDMAPT | |
| SCHEMBL5151596 | 0.73 | POLB (0.44) | ALDH1A1CA12CA1CA7CA14 | |
| SCHEMBL7673435 | 0.73 | CA12 (0.64) | ALDH1A1NPSR1SMN1; SMN2CA12CA1 | |
| SCHEMBL781932 | 0.73 | MEP1B (0.64) | ALDH1A1HTTCYP2C19 |
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-6294549-B1 | COMPOUNDS USEFUL FOR INHIBITING RESTENOSIS, ANGIOGENESIS, ATHEROSCLEROSIS, DIABETIC RETINOPATHY, MACULAR DEGENERATION, INFLAMMATION OR TUMOR GROWTH. | MERCK & CO., INC. | 2001-09-25 | — | — | US | disclosed |