Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 10/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 8/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.43 |
| ▸ | NCOR2 | Q9Y618 | 2/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9339394 | 0.86 | CA1 (0.51) | HDAC3RAB9AL3MBTL1HDAC1CYP3A4 | |
| SCHEMBL9865619 | 0.85 | HDAC3 (0.48) | HDAC3NPC1ALDH1A1RAB9ASMN1; SMN2 | |
| SCHEMBL7310718 | 0.83 | CYP3A4 (0.56) | HDAC3HTTL3MBTL1HDAC1CYP3A4 | |
| SCHEMBL9865785 | 0.81 | SELL (0.51) | HDAC3ALDH1A1SMN1; SMN2L3MBTL1HDAC1 | |
| SCHEMBL7298164 | 0.80 | HTT (0.54) | HDAC3HTTCYP2D6CYP2C19L3MBTL1 | |
| SCHEMBL4924340 | 0.80 | HTT (0.56) | HTTALDH1A1L3MBTL1MEN1KMT2A | |
| SCHEMBL17599919 | 0.79 | CYP3A4 (0.59) | HDAC3HTTL3MBTL1MEN1KMT2A | |
| SCHEMBL9335592 | 0.79 | NPC1 (0.52) | HDAC3HTTNPC1ALDH1A1CYP1A2 | |
| SCHEMBL9335827 | 0.79 | CA1 (0.45) | HDAC3L3MBTL1MEN1KMT2AHDAC1 | |
| SCHEMBL23777326 | 0.79 | TPSAB1 (0.56) | HTTALDH1A1L3MBTL1MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-5039805-A | Novel benzoic and phenylacetic acid derivatives | HOFFMANN-LA ROCHE INC. (US) | 1991-08-13 | — | — | US | disclosed |
| EP-0372486-A2 | Benzoic-acid phenylacetic-acid derivatives, their preparation and their use as medicines | F. HOFFMANN-LA ROCHE AG (CH) | 1990-06-13 | — | — | EP | disclosed |