Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | MMP2 | P08253 | 2/20 | 0.41 |
| ▸ | MMP9 | P14780 | 2/20 | 0.41 |
| ▸ | MMP8 | P22894 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | MMP1 | P03956 | 1/20 | 0.41 |
| ▸ | MMP13 | P45452 | 1/20 | 0.41 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | MMP12 | P39900 | 1/20 | 0.39 |
| ▸ | MMP14 | P50281 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL10687684 | 0.87 | ALDH1A1 (0.45) | ALDH1A1TSHRMMP2MMP9MMP8 | |
| SCHEMBL599971 | 0.83 | EPHX2 (0.49) | ALDH1A1TSHRMMP1MMP13TBXA2R | |
| SCHEMBL7657476 | 0.81 | GBA1 (0.52) | ALDH1A1HPGDKMT2ARAB9A | |
| SCHEMBL7053278 | 0.81 | BCAT1 (0.46) | ALDH1A1TSHRMMP2MMP9MMP8 | |
| SCHEMBL27464975 | 0.76 | IDO1 (0.46) | ALDH1A1CA1CA2GAAHPGD | |
| SCHEMBL27449334 | 0.76 | L3MBTL1 (0.39) | MMP2MMP9MMP8CA1CA2 | |
| SCHEMBL8707459 | 0.74 | ALDH1A1 (0.53) | ALDH1A1KMT2ASMN1; SMN2RAB9AADRA1A | |
| SCHEMBL398043 | 0.74 | TBXA2R (0.42) | ALDH1A1MMP2MMP9MMP8CA1 | |
| SCHEMBL27448413 | 0.74 | CA1 (0.47) | ALDH1A1CA1CA2GAAHPGD | |
| SCHEMBL28510375 | 0.73 | EGFR (0.48) | ALDH1A1TSHRMMP2MMP9MMP8 |
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 |
|---|---|---|---|---|---|---|---|
| US-6451800-B1 | Phenylpiperazine derivatives as integrin αvβ3 antagonists | MEIJI SEIKA KAISHA, LTD. (JP) | 2002-09-17 | — | — | US | disclosed |
| EP-1057818-A1 | PHENYLPIPERAZINE DERIVATIVES AS INTEGRIN ALPHAvBETA3 ANTAGONISTS | MEIJI SEIKA KAISHA LTD. (JP) | 2000-12-06 | — | — | EP | disclosed |