Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACVR1 | Q04771 | 7/20 | 0.64 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.57 |
| ▸ | PARP1 | P09874 | 6/20 | 0.53 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.53 |
| ▸ | CA12 | O43570 | 1/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | CA9 | Q16790 | 1/20 | 0.53 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.53 |
| ▸ | IP6K1 | Q92551 | 5/20 | 0.51 |
| ▸ | IP6K3 | Q96PC2 | 4/20 | 0.51 |
| ▸ | IP6K2 | Q9UHH9 | 3/20 | 0.51 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.48 |
| ▸ | PIM1 | P11309 | 1/20 | 0.48 |
| ▸ | AKT1 | P31749 | 1/20 | 0.48 |
| ▸ | FLT3 | P36888 | 1/20 | 0.48 |
| ▸ | PIM3 | Q86V86 | 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 | |
|---|---|---|---|---|
| SCHEMBL3740005 | 0.81 | ACVR1 (0.74) | ACVR1TGFBR1PARP1PDPK1CA12 | |
| SCHEMBL7980737 | 0.78 | ACVR1 (0.67) | ACVR1TGFBR1PARP1PDPK1CA12 | |
| SCHEMBL8622180 | 0.78 | ACVR1 (0.73) | ACVR1PARP1PDPK1CA12ALOX15 | |
| SCHEMBL18712269 | 0.75 | ACVR1 (0.69) | ACVR1TGFBR1PARP1PDPK1CA12 | |
| SCHEMBL9272871 | 0.75 | ACVR1 (0.56) | ACVR1TGFBR1PARP1PDPK1CA12 | |
| SCHEMBL7976876 | 0.75 | TGFBR1 (0.58) | ACVR1TGFBR1PARP1IP6K1IP6K3 | |
| SCHEMBL22980875 | 0.74 | IP6K1 (0.66) | PARP1PDPK1CA12ALOX15SMN1; SMN2 | |
| SCHEMBL28224560 | 0.74 | IP6K1 (0.62) | ACVR1PARP1IP6K1IP6K3IP6K2 | |
| SCHEMBL12304875 | 0.74 | PARP1 (0.53) | PARP1PDPK1CA12ALOX15SMN1; SMN2 | |
| SCHEMBL3731351 | 0.73 | ACVR1 (0.60) | ACVR1TGFBR1PARP1PDPK1CA12 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104903300-A | Comt inhibitors | HOFFMANN LA ROCHE | 2015-09-09 | — | — | CN | claimed |
| CN-104903300-A | Comt inhibitors | HOFFMANN LA ROCHE | 2015-09-09 | — | — | CN | disclosed |