Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 4/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.49 |
| ▸ | MEN1 | O00255 | 4/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.49 |
| ▸ | RELA | Q04206 | 1/20 | 0.49 |
| ▸ | CYP19A1 | P11511 | 6/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2967633 | 0.82 | GABRA1 (0.46) | CYP2C19CYP3A4MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL11472673 | 0.79 | CYP19A1 (0.44) | CYP2C19CYP3A4MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL10367118 | 0.77 | CYP19A1 (0.58) | MEN1KMT2AKDM4ECYP19A1MAOB | |
| SCHEMBL30775734 | 0.76 | MAOA (0.41) | MEN1KMT2AALDH1A1LMNAMAOB | |
| SCHEMBL1257771 | 0.76 | MAOA (0.41) | MEN1KMT2AALDH1A1LMNAMAOB | |
| SCHEMBL170331 | 0.76 | MAOA (0.41) | MEN1KMT2AALDH1A1LMNAMAOB | |
| SCHEMBL25194801 | 0.73 | CYP3A4 (0.57) | CYP2C19CYP3A4MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL30991587 | 0.73 | CYP3A4 (0.57) | CYP2C19CYP3A4MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL25199321 | 0.70 | GABRA1 (0.58) | CYP2C19CYP3A4MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL28735519 | 0.70 | ESR2 (0.45) | MEN1KMT2AALDH1A1CYP19A1MAOB |
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-1414476-A1 | BAUHINIA EXTRACTS | MERCK PATENT GmbH (DE) | 2004-05-06 | — | — | EP | disclosed |
| WO-2003011311-A1 | BAUHINIA EXTRACTS | MERCK PATENT GMBH (DE) | 2003-02-13 | — | — | WO | disclosed |