Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 2/20 | 0.44 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 4/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 6/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | NPC1 | O15118 | 4/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL10304992 | 0.85 | CYP1A1 (0.45) | CYP1A1CYP1B1MEN1KMT2AL3MBTL1 | |
| SCHEMBL15624576 | 0.83 | RAB9A (0.40) | MEN1KMT2AL3MBTL1MAPTALDH1A1 | |
| SCHEMBL15624574 | 0.74 | CYP11B1 (0.44) | MEN1KMT2AMAPTALDH1A1NPC1 | |
| SCHEMBL10305109 | 0.72 | CYP1A1 (0.50) | CYP1A1CYP1B1MEN1KMT2AL3MBTL1 | |
| SCHEMBL11004268 | 0.69 | ALDH1A1 (0.61) | MEN1KMT2AMAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL30206740 | 0.69 | ALDH1A1 (0.61) | MEN1KMT2AMAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL30206743 | 0.69 | ALDH1A1 (0.61) | MEN1KMT2AMAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL10305054 | 0.69 | ATP4A (0.48) | CYP19A1MAPTSMN1; SMN2ALDH1A1NPC1 | |
| SCHEMBL30641473 | 0.69 | ALDH1A1 (0.71) | CYP1A1CYP1B1MEN1KMT2AL3MBTL1 | |
| SCHEMBL5327111 | 0.69 | ALDH1A1 (0.71) | CYP1A1CYP1B1MEN1KMT2AL3MBTL1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2252595-B1 | OXIM DERIVATIVES AS HSP90 INHIBITORS | TAKEDA PHARMACEUTICAL (JP) | 2014-03-26 | — | — | EP | disclosed |