Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.59 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.51 |
| ▸ | NPC1 | O15118 | 3/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | CASP3 | P42574 | 1/20 | 0.50 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.50 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.50 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.50 |
| ▸ | PARP1 | P09874 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL266386 | 0.81 | ALDH1A1 (0.69) | ALDH1A1L3MBTL1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL6960873 | 0.78 | PARP1 (0.62) | ALDH1A1L3MBTL1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL31325120 | 0.78 | L3MBTL1 (0.59) | ALDH1A1L3MBTL1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL29818016 | 0.78 | ALDH1A1 (0.61) | ALDH1A1L3MBTL1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL31305679 | 0.77 | KDM4E (0.64) | ALDH1A1L3MBTL1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL17336774 | 0.77 | KDM4E (0.64) | ALDH1A1L3MBTL1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL17236166 | 0.77 | SMN1; SMN2 (0.77) | ALDH1A1L3MBTL1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL27791841 | 0.77 | HDAC3 (0.52) | ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A | |
| SCHEMBL27611123 | 0.77 | ALDH1A1 (0.68) | ALDH1A1L3MBTL1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL613939 | 0.76 | TAS1R3 (0.73) | ALDH1A1L3MBTL1CYP1A2CYP2C19MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1344256-A | (Hetero) aryl-bicyclic heteroaryl derivatives, their prepn. and their use as protease inhibitors | AXYS PHARM INC (US) | 2002-04-10 | — | — | CN | disclosed |