Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 2/20 | 0.60 |
| ▸ | NPC1 | O15118 | 1/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.60 |
| ▸ | CRBN | Q96SW2 | 5/20 | 0.58 |
| ▸ | DDB1 | Q16531 | 2/20 | 0.56 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | OGA | O60502 | 1/20 | 0.46 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | HPGD | P15428 | 4/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL1640852 | 0.94 | RAB9A (0.61) | RAB9ANPC1KMT2ACRBNDDB1 | |
| SCHEMBL4763473 | 0.93 | KMT2A (0.62) | RAB9ANPC1KMT2ACRBNDDB1 | |
| SCHEMBL1639768 | 0.86 | CRBN (0.53) | RAB9ANPC1KMT2ACRBNDDB1 | |
| SCHEMBL20339428 | 0.84 | KMT2A (0.74) | RAB9ANPC1KMT2ACRBNDDB1 | |
| SCHEMBL1640736 | 0.82 | CRBN (0.54) | RAB9ANPC1KMT2ACRBNDDB1 | |
| SCHEMBL1640770 | 0.82 | NPC1 (0.53) | RAB9ANPC1KMT2ACRBNDDB1 | |
| SCHEMBL1640835 | 0.81 | CRBN (0.55) | RAB9ANPC1KMT2ACRBNDDB1 | |
| SCHEMBL1639864 | 0.80 | KMT2A (0.56) | RAB9ANPC1KMT2ACRBNDDB1 | |
| SCHEMBL27088173 | 0.80 | CRBN (0.66) | RAB9ANPC1KMT2ACRBNDDB1 | |
| SCHEMBL13811462 | 0.80 | CRBN (0.54) | RAB9ANPC1KMT2ACRBNDDB1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1954698-A1 | SPIROCYCLIC COMPOUNDS AS HDAC INHIBITORS | Merck & Co., Inc. (US) | 2008-08-13 | — | — | EP | disclosed |
| WO-2007061978-A1 | SPIROCYCLIC COMPOUNDS AS HDAC INHIBITORS | MERCK & CO., INC. (US) | 2007-05-31 | — | — | WO | disclosed |
| WO-2007061880-A1 | SPIROCYCLIC COMPOUNDS AS HDAC INHIBITORS | MERCK & CO., INC. (US) | 2007-05-31 | — | — | WO | disclosed |