Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 3/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.48 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.48 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.48 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | ESR1 | P03372 | 1/20 | 0.45 |
| ▸ | CA7 | P43166 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7657843 | 1.00 | HTT (0.50) | HTTHPGDALDH1A1HSP90AA1CACNA1B | |
| SCHEMBL7655528 | 1.00 | HTT (0.50) | HTTHPGDALDH1A1HSP90AA1CACNA1B | |
| SCHEMBL28961518 | 0.87 | HPGD (0.48) | HTTHPGDALDH1A1HSP90AA1CACNA1B | |
| SCHEMBL6502280 | 0.87 | HPGD (0.48) | HTTHPGDALDH1A1HSP90AA1CACNA1B | |
| SCHEMBL28919140 | 0.87 | HPGD (0.48) | HTTHPGDALDH1A1HSP90AA1CACNA1B | |
| SCHEMBL65289 | 0.85 | HTT (0.54) | HTTHPGDALDH1A1HSP90AA1CACNA1B | |
| SCHEMBL1923959 | 0.85 | ALDH1A1 (0.54) | HPGDALDH1A1TDP1MEN1KMT2A | |
| SCHEMBL64329 | 0.85 | HTT (0.54) | HTTHPGDALDH1A1HSP90AA1CACNA1B | |
| SCHEMBL4417772 | 0.85 | ALDH1A1 (0.54) | HPGDALDH1A1TDP1MEN1KMT2A | |
| SCHEMBL4420179 | 0.85 | ALDH1A1 (0.54) | HPGDALDH1A1TDP1MEN1KMT2A |
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 |