Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 7/20 | 0.52 |
| ▸ | CTSS | P25774 | 3/20 | 0.42 |
| ▸ | CTSK | P43235 | 3/20 | 0.42 |
| ▸ | GCGR | P47871 | 1/20 | 0.41 |
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.40 |
| ▸ | PLAU | P00749 | 1/20 | 0.40 |
| ▸ | ELANE | P08246 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CTSL | P07711 | 2/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL7700245 | 1.00 | ESR1 (0.52) | ESR1CTSSCTSKGCGRKCNH3 | |
| SCHEMBL7602310 | 0.94 | ESR1 (0.49) | ESR1CTSSCTSKKCNH3PLAU | |
| SCHEMBL7602307 | 0.94 | ESR1 (0.49) | ESR1CTSSCTSKKCNH3PLAU | |
| SCHEMBL7600070 | 0.93 | ESR1 (0.47) | ESR1CTSSCTSKKCNH3PLAU | |
| SCHEMBL7600075 | 0.93 | ESR1 (0.47) | ESR1CTSSCTSKKCNH3PLAU | |
| SCHEMBL7602316 | 0.89 | ESR1 (0.53) | ESR1CTSSCTSKKCNH3ALDH1A1 | |
| SCHEMBL7602320 | 0.89 | ESR1 (0.53) | ESR1CTSSCTSKKCNH3ALDH1A1 | |
| SCHEMBL7598327 | 0.88 | ESR1 (0.44) | ESR1KCNH3ALDH1A1MEN1KMT2A | |
| SCHEMBL7599310 | 0.88 | ESR1 (0.44) | ESR1KCNH3ALDH1A1MEN1KMT2A | |
| SCHEMBL7602691 | 0.86 | ESR1 (0.60) | ESR1MAPTMEN1KMT2ARAB9A |
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-2002066415-A2 | NON-STEROIDAL MODULATORS OF ESTROGEN RECEPTORS | THE PROVOST, FELLOWS AND SCHOLARS OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH NEAR DUBLIN (IE) | 2002-08-29 | — | — | WO | disclosed |