Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 14/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 12/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 12/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | NCOR2 | Q9Y618 | 6/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.40 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.40 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 5/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 5/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 5/20 | 0.38 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 5/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.38 |
| ▸ | HDAC9 | Q9UKV0 | 5/20 | 0.38 |
| ▸ | HDAC5 | Q9UQL6 | 5/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11057477 | 0.76 | MEN1 (0.48) | MAPK1NPC1RAB9APOLBTDP1 | |
| SCHEMBL11547219 | 0.70 | MAOA (0.42) | NPC1RAB9APOLBAPEX1TDP1 | |
| SCHEMBL13719988 | 0.70 | POLB (0.42) | HDAC1HDAC3HDAC2NPC1RAB9A | |
| SCHEMBL10900970 | 0.68 | LMNA (0.55) | HDAC1HDAC3HDAC2HDAC4HDAC7 | |
| SCHEMBL4860919 | 0.67 | POLB (0.40) | HDAC1NPC1RAB9AHDAC4HDAC7 | |
| SCHEMBL8706114 | 0.67 | CYP1A2 (0.39) | NPC1RAB9APOLBAPEX1TDP1 | |
| SCHEMBL25423241 | 0.66 | CYP1A2 (0.41) | HDAC1NPC1RAB9AHDAC4HDAC7 | |
| SCHEMBL5514992 | 0.66 | POLB (0.39) | HDAC1NPC1RAB9AHDAC4HDAC7 | |
| SCHEMBL653241 | 0.65 | HDAC3 (0.68) | HDAC1HDAC3HDAC2MAPK1NCOR2 | |
| SCHEMBL25311805 | 0.65 | MAP3K5 (0.41) | POLBAPEX1TDP1L3MBTL1ALDH1A1 |
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-4450108-A | ANTIDEPRESSANTS; NEUROLEPTIC AGENTS; PSYCHOLOGICAL DISORDERS | SANDOZ LTD. (CH) | 1984-05-22 | — | — | US | disclosed |
| EP-0031115-A1 | New pyrrolobenzotriazepines, their production and pharmaceutical compositions containing them | SANDOZ AG (CH) | 1981-07-01 | — | — | EP | disclosed |