Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VNN1 | O95497 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 4/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | CASR | P41180 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | APEX1 | P27695 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9626759 | 0.79 | CASR (0.34) | VNN1KDM4ERIPK1HPGDTDP1 | |
| SCHEMBL9626765 | 0.79 | CASR (0.34) | VNN1KDM4ERIPK1HPGDTDP1 | |
| SCHEMBL11616522 | 0.76 | TRPA1 (0.40) | VNN1KDM4ERIPK1HPGDCASR | |
| Oxalic Acid SCHEMBL9626152 | 0.73 | TDP1 (0.37) | VNN1KDM4ERIPK1HPGDTDP1 | |
| SCHEMBL5447904 | 0.73 | TRPA1 (0.47) | VNN1KDM4ERIPK1HPGDCASR | |
| SCHEMBL9625532 | 0.72 | KDM4E (0.45) | VNN1KDM4ERIPK1HPGDTDP1 | |
| Oxalic Acid SCHEMBL9625183 | 0.71 | TRPA1 (0.40) | VNN1KDM4EHPGDTRPA1HTT | |
| SCHEMBL28316955 | 0.70 | AOC3 (0.47) | KDM4EHPGDHTTALDH1A1LMNA | |
| SCHEMBL27861453 | 0.70 | AOC3 (0.47) | KDM4EHPGDHTTALDH1A1LMNA | |
| SCHEMBL3151457 | 0.70 | KIF11 (0.45) | VNN1KDM4ERIPK1HPGDTRPA1 |
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-0322391-B1 | NEW PHENYLALKYLAMINE DERIVATIVES | AKTIEBOLAGET ASTRA (SE) | 1992-03-25 | — | — | EP | disclosed |
| CN-1034710-A | New compound | ASTRA AB (SE) | 1989-08-16 | — | — | CN | disclosed |
| EP-0322391-A1 | New phenylalkylamine derivatives | AKTIEBOLAGET ASTRA (SE) | 1989-06-28 | — | — | EP | disclosed |