Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.46 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.46 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.46 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.46 |
| ▸ | KLK1 | P06870 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | BRD4 | O60885 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | DRD4 | P21917 | 2/20 | 0.40 |
| ▸ | DRD3 | P35462 | 2/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.39 |
| ▸ | IDH1 | O75874 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 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 | |
|---|---|---|---|---|
| SCHEMBL7368765 | 0.86 | CYP19A1 (0.46) | CYP19A1CYP11B1CYP11B2KLKB1KLK1 | |
| SCHEMBL7373944 | 0.80 | PTGER1 (0.47) | CYP19A1CYP11B1CYP11B2KLKB1KLK1 | |
| SCHEMBL7375052 | 0.77 | CYP19A1 (0.50) | CYP19A1CYP11B1CYP11B2KLKB1KLK1 | |
| SCHEMBL16832399 | 0.76 | KDM4E (0.62) | CYP19A1CYP11B1CYP11B2KLKB1KLK1 | |
| SCHEMBL580840 | 0.72 | LOXL2 (0.61) | CYP19A1CYP11B1CYP11B2KLKB1KLK1 | |
| SCHEMBL30358086 | 0.72 | LOXL2 (0.61) | CYP19A1CYP11B1CYP11B2KLKB1KLK1 | |
| Water SCHEMBL5709133 | 0.72 | LOXL2 (0.61) | CYP19A1CYP11B1CYP11B2KLKB1KLK1 | |
| Hydrochloric Acid SCHEMBL2326110 | 0.70 | LOXL2 (0.59) | CYP19A1CYP11B1CYP11B2KLKB1KLK1 | |
| Bromide SCHEMBL6433668 | 0.70 | LOXL2 (0.59) | CYP19A1CYP11B1CYP11B2KLKB1KLK1 | |
| SCHEMBL7234546 | 0.70 | CCR2 (0.51) | CYP19A1CYP11B1CYP11B2KLKB1KLK1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002000651-A2 | FACTOR XA INHIBITORS | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2002-01-03 | — | — | WO | disclosed |