Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | XBP1 | P17861 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL4346886 | 0.93 | KMT2A (0.63) | KMT2AALDH1A1MAPTKDM4ESMN1; SMN2 | |
| SCHEMBL4347312 | 0.88 | ALDH1A1 (0.58) | KMT2AALDH1A1MAPK1MAPTKDM4E | |
| SCHEMBL4347505 | 0.83 | KMT2A (0.67) | KMT2AALDH1A1MAPK1MAPTKDM4E | |
| SCHEMBL4353668 | 0.83 | MAPK1 (0.54) | KMT2AALDH1A1MAPK1MAPTKDM4E | |
| SCHEMBL6671061 | 0.82 | KMT2A (0.67) | KMT2AALDH1A1MAPK1MAPTNPC1 | |
| SCHEMBL4347512 | 0.79 | KMT2A (0.62) | KMT2AALDH1A1MAPTKDM4ESMN1; SMN2 | |
| SCHEMBL9453927 | 0.78 | ALDH1A1 (0.67) | KMT2AALDH1A1MAPTKDM4ESMN1; SMN2 | |
| SCHEMBL4353757 | 0.78 | KMT2A (0.60) | KMT2AALDH1A1MAPTKDM4ESMN1; SMN2 | |
| SCHEMBL4353238 | 0.78 | KMT2A (0.68) | KMT2AALDH1A1MAPK1MAPTHTT | |
| SCHEMBL4343802 | 0.78 | MAPK1 (0.56) | KMT2AALDH1A1MAPK1MAPTKDM4E |
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-1539683-A2 | PHENOL DERIVATIVES AND THEIR USE AS ROTAMASE INHIBITORS | Jerini AG (DE) | 2005-06-15 | — | — | EP | claimed |
| WO-2004026815-A2 | PHENOL DERIVATIVES AND THEIR USE AS ROTAMASE INHIBITORS | JERINI AG (DE) | 2004-04-01 | — | — | WO | claimed |