Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.45 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 4/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 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 | |
|---|---|---|---|---|
| SCHEMBL8534047 | 0.89 | AKR1C3 (0.57) | HDAC11AKR1C3SMN1; SMN2NPC1PKM | |
| SCHEMBL7863112 | 0.86 | ROCK1 (0.47) | HDAC11AKR1C3SMN1; SMN2NPC1PKM | |
| SCHEMBL8525720 | 0.81 | HDAC11 (0.44) | HDAC11AKR1C3SMN1; SMN2NPC1PKM | |
| SCHEMBL8525722 | 0.81 | HDAC11 (0.46) | HDAC11AKR1C3SMN1; SMN2NPC1PKM | |
| SCHEMBL8526505 | 0.80 | ROCK1 (0.46) | HDAC11AKR1C3SMN1; SMN2NPC1PKM | |
| SCHEMBL7863185 | 0.76 | AKR1C3 (0.56) | HDAC11AKR1C3SMN1; SMN2NPC1RAB9A | |
| SCHEMBL8524765 | 0.71 | AKR1C3 (0.54) | HDAC11AKR1C3SMN1; SMN2NPC1RAB9A | |
| SCHEMBL8524766 | 0.70 | AKR1C3 (0.58) | HDAC11AKR1C3SMN1; SMN2NPC1PKM | |
| SCHEMBL8526841 | 0.69 | AKR1C3 (0.54) | HDAC11AKR1C3SMN1; SMN2NPC1PKM | |
| SCHEMBL11703469 | 0.69 | RAB9A (0.73) | SMN1; SMN2NPC1PKMRAB9AMAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-5773646-A | INTEGRIN INHIBITORS | G. D. SEARLE & CO. (US) | 1998-06-30 | — | — | US | disclosed |