Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 6/20 | 0.55 |
| ▸ | NPC1 | O15118 | 5/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 4/20 | 0.45 |
| ▸ | CA12 | O43570 | 3/20 | 0.45 |
| ▸ | CA1 | P00915 | 3/20 | 0.45 |
| ▸ | CA9 | Q16790 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.40 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.40 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 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 | |
|---|---|---|---|---|
| SCHEMBL4354544 | 0.84 | TRPV1 (0.67) | RAB9ANPC1MAPTTRPV1CA2 | |
| SCHEMBL4354700 | 0.82 | CXCR1 (0.48) | RAB9ANPC1MAPTSMN1; SMN2CXCR1 | |
| SCHEMBL6683260 | 0.78 | RAB9A (0.48) | RAB9ANPC1MAPTTRPV1CA2 | |
| SCHEMBL6251887 | 0.77 | NPC1 (0.46) | RAB9ANPC1MAPTTRPV1CA2 | |
| SCHEMBL6250660 | 0.76 | CNR1 (0.52) | RAB9ANPC1MAPTSMN1; SMN2KMT2A | |
| SCHEMBL4343813 | 0.76 | CXCR1 (0.54) | RAB9ANPC1MAPTCA2CA12 | |
| SCHEMBL6565629 | 0.74 | CXCR2 (0.62) | RAB9ANPC1TRPV1CA2CA12 | |
| SCHEMBL7375328 | 0.73 | NPC1 (1.00) | RAB9ANPC1MAPTCA2CA12 | |
| SCHEMBL6568668 | 0.72 | GAA (0.61) | RAB9ANPC1MAPTSMN1; SMN2KMT2A | |
| SCHEMBL6521859 | 0.72 | NPC1 (0.58) | RAB9ANPC1MAPTTRPV1CA2 |
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 |