Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.37 |
| ▸ | KIF11 | P52732 | 1/20 | 0.36 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL15569625 | 0.98 | HDAC9 (0.36) | HDAC9KIF11AKR1C1KMT2ATDP1 | |
| SCHEMBL4707432 | 0.72 | KMT2A (0.39) | KMT2A | |
| SCHEMBL3732088 | 0.71 | HDAC9 (0.43) | HDAC9KIF11AKR1C1KMT2ATDP1 | |
| SCHEMBL27956103 | 0.71 | HDAC9 (0.43) | HDAC9KIF11AKR1C1KMT2ATDP1 | |
| SCHEMBL29569241 | 0.70 | GAA (0.35) | HDAC9 | |
| SCHEMBL1325109 | 0.70 | THRB (0.38) | AKR1C1TDP1 | |
| SCHEMBL4708203 | 0.70 | HTR2A (0.34) | KMT2A | |
| SCHEMBL4707320 | 0.70 | OPRL1 (0.36) | KMT2AOPRM1OPRK1OPRL1 | |
| SCHEMBL27427696 | 0.70 | SIGMAR1 (0.37) | CYP2C9 | |
| SCHEMBL18986688 | 0.69 | KMT2A (0.33) | KMT2A |
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-104540806-B | Azaheterocycles as BIR2 and/or BIR3 inhibitors | 霍夫曼-拉罗奇有限公司 | 2017-05-03 | — | — | CN | claimed |