Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | PADI4 | Q9UM07 | 1/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | GRK2 | P25098 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | MGLL | Q99685 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | KLKB1 | P03952 | 2/20 | 0.37 |
| ▸ | KLK1 | P06870 | 2/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5117813 | 1.00 | NPC1 (0.41) | NPC1RAB9APADI4ROCK2GRK2 | |
| SCHEMBL5130351 | 0.84 | TP53 (0.48) | NPC1RAB9AHPGDTP53HDAC1 | |
| SCHEMBL5127204 | 0.84 | HDAC1 (0.45) | NPC1RAB9AHPGDTP53HDAC1 | |
| SCHEMBL5117437 | 0.83 | NPC1 (0.46) | NPC1RAB9AHPGDTP53KLK1 | |
| SCHEMBL5121951 | 0.83 | RAB9A (0.46) | NPC1RAB9AHPGDHDAC1 | |
| SCHEMBL5240614 | 0.83 | RAB9A (0.45) | NPC1RAB9AHPGDTP53HDAC1 | |
| SCHEMBL5118770 | 0.83 | RAB9A (0.45) | NPC1RAB9AHPGDTP53HDAC1 | |
| SCHEMBL5123458 | 0.82 | RAB9A (0.44) | NPC1RAB9AHPGDTP53HDAC1 | |
| SCHEMBL5131334 | 0.82 | NPC1 (0.44) | NPC1RAB9AROCK2GRK2HPGD | |
| SCHEMBL5117937 | 0.82 | HPGD (0.45) | NPC1RAB9AHPGDTP53HDAC1 |
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-1768955-A1 | AMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) | 2007-04-04 | — | — | EP | disclosed |
| WO-2006005941-A1 | AMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI S.P.A. (IT) | 2006-01-19 | — | — | WO | disclosed |