Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 5/20 | 0.56 |
| ▸ | NPC1 | O15118 | 4/20 | 0.56 |
| ▸ | MEN1 | O00255 | 4/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.56 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.56 |
| ▸ | RELA | Q04206 | 1/20 | 0.56 |
| ▸ | MAOB | P27338 | 1/20 | 0.50 |
| ▸ | MGLL | Q99685 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 6/20 | 0.45 |
| ▸ | TP53 | P04637 | 6/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4342086 | 0.88 | ALDH1A1 (0.48) | RAB9ANPC1MEN1KMT2AALDH1A1 | |
| SCHEMBL4342081 | 0.86 | MAPT (0.43) | RAB9ANPC1MEN1KMT2AALDH1A1 | |
| SCHEMBL6566878 | 0.83 | MAPT (0.53) | RAB9ANPC1MEN1KMT2ANFKB1 | |
| SCHEMBL4505884 | 0.82 | TP53 (0.52) | RAB9ANPC1MEN1KMT2AALDH1A1 | |
| SCHEMBL4355895 | 0.82 | RAB9A (0.58) | RAB9ANPC1MEN1KMT2AALDH1A1 | |
| SCHEMBL6526530 | 0.81 | MAPT (0.51) | RAB9ANPC1MEN1KMT2AALDH1A1 | |
| SCHEMBL4342090 | 0.80 | MAOB (0.47) | RAB9ANPC1MEN1KMT2AALDH1A1 | |
| SCHEMBL4347962 | 0.79 | MAPT (0.48) | RAB9ANPC1MEN1KMT2AALDH1A1 | |
| SCHEMBL6524162 | 0.79 | NAMPT (0.57) | RAB9ANPC1MEN1KMT2AALDH1A1 | |
| SCHEMBL6568636 | 0.78 | KDM4E (0.49) | RAB9ANPC1MEN1KMT2AALDH1A1 |
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-1402887-A1 | New compounds for the inhibition of undesired cell proliferation and use thereof | Jerini AG (DE) | 2004-03-31 | — | — | EP | claimed |
| EP-1402888-A1 | The use of substituted carbocyclic compounds as rotamases inhibitors | Jerini AG (DE) | 2004-03-31 | — | — | EP | claimed |