Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 8/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.42 |
| ▸ | GRN | P28799 | 1/20 | 0.41 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | MARS1 | P56192 | 2/20 | 0.40 |
| ▸ | RHEB | Q15382 | 1/20 | 0.38 |
| ▸ | GALR3 | O60755 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4638860 | 0.86 | CYP19A1 (0.46) | CYP19A1ALDH1A1TSHRHPGDP2RX7 | |
| SCHEMBL4637778 | 0.84 | CYP19A1 (0.68) | CYP19A1POLBCYP2C9SMN1; SMN2 | |
| SCHEMBL4638522 | 0.82 | CYP19A1 (0.44) | CYP19A1ALDH1A1TSHRP2RX7GRN | |
| SCHEMBL4637749 | 0.82 | ALDH1A1 (0.53) | CYP19A1ALDH1A1TSHRHPGDSORT1 | |
| Hydrochloric Acid SCHEMBL5794894 | 0.81 | ALDH1A1 (0.52) | CYP19A1ALDH1A1TSHRHPGDSORT1 | |
| SCHEMBL4707175 | 0.79 | MAPT (0.46) | ALDH1A1TSHRP2RX7POLBCYP3A4 | |
| SCHEMBL4638508 | 0.79 | CYP19A1 (0.42) | CYP19A1ALDH1A1TSHRHPGDP2RX7 | |
| SCHEMBL4638825 | 0.78 | HPGD (0.50) | CYP19A1TSHRHPGDGRNSORT1 | |
| SCHEMBL2367657 | 0.76 | GRN (0.49) | CYP19A1TSHRHPGDGRNSORT1 | |
| SCHEMBL4637971 | 0.73 | CYP19A1 (0.50) | CYP19A1ALDH1A1TSHRP2RX7SMN1; SMN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1501808-B1 | TACHYKININ RECEPTOR ANTAGONISTS | LILLY CO ELI (US) | 2008-07-02 | — | — | EP | disclosed |
| EP-1501809-B1 | TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS | LILLY CO ELI (US) | 2008-01-16 | — | — | EP | disclosed |
| CN-1646502-A | Triazole derivatives as tachykinin receptor antagonists | LILLY CO ELI (US) | 2005-07-27 | — | — | CN | disclosed |