Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.68 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.68 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.46 |
| ▸ | HTR3A | P46098 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | APEX1 | P27695 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.42 |
| ▸ | MIF | P14174 | 2/20 | 0.42 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | MMP9 | P14780 | 1/20 | 0.41 |
| ▸ | MMP13 | P45452 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8912131 | 1.00 | ESR1 (0.68) | ESR1ESR2TAAR1HTR3ATSHR | |
| SCHEMBL11641330 | 0.84 | ESR1 (0.49) | ESR1ESR2TAAR1HTR3ATSHR | |
| SCHEMBL21656311 | 0.84 | ESR1 (0.49) | ESR1ESR2TSHRL3MBTL1ROCK2 | |
| SCHEMBL17838862 | 0.84 | L3MBTL1 (0.60) | ESR1ESR2TSHRNFKB1L3MBTL1 | |
| SCHEMBL7716645 | 0.84 | ESR1 (0.70) | ESR1ESR2ALOX15TDP1L3MBTL1 | |
| SCHEMBL3402990 | 0.84 | KMT2A (0.58) | ESR1ESR2TAAR1TSHR | |
| SCHEMBL18382201 | 0.84 | KMT2A (0.58) | ESR1ESR2TAAR1TSHR | |
| SCHEMBL18382129 | 0.84 | KMT2A (0.58) | ESR1ESR2TAAR1TSHR | |
| Hydrochloric Acid SCHEMBL191106 | 0.83 | L3MBTL1 (0.58) | ESR1ESR2TSHRNFKB1L3MBTL1 | |
| Hydrochloric Acid SCHEMBL114327 | 0.82 | KMT2A (0.56) | ESR1ESR2TSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0808303-A1 | 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST | ZENECA LIMITED (GB) | 1997-11-26 | — | — | EP | disclosed |
| WO-1996024582-A1 | 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST | ZENECA LIMITED (GB) | 1996-08-15 | — | — | WO | disclosed |