Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCF1 | P14598 | 1/20 | 0.48 |
| ▸ | PRKCI | P41743 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 7/20 | 0.42 |
| ▸ | RAB9A | P51151 | 7/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | TNNI3 | P19429 | 1/20 | 0.42 |
| ▸ | TNNT2 | P45379 | 1/20 | 0.42 |
| ▸ | TNNC1 | P63316 | 1/20 | 0.42 |
| ▸ | RUNX1 | Q01196 | 1/20 | 0.42 |
| ▸ | CBFB | Q13951 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | NNMT | P40261 | 1/20 | 0.42 |
| ▸ | ACACB | O00763 | 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 | |
|---|---|---|---|---|
| SCHEMBL2671414 | 0.86 | HCAR3 (0.56) | NCF1HCAR3NPC1RAB9AMAPT | |
| SCHEMBL24635160 | 0.83 | HTT (0.49) | NCF1NPC1RAB9AMAPTALDH1A1 | |
| SCHEMBL4404500 | 0.81 | NCF1 (0.44) | NCF1HCAR3NPC1RAB9AMAPT | |
| SCHEMBL4145320 | 0.81 | NCF1 (0.44) | NCF1HCAR3NPC1RAB9AMAPT | |
| SCHEMBL9015187 | 0.78 | CYP1A2 (0.53) | CYP2A6NPC1RAB9AMAPTALDH1A1 | |
| SCHEMBL13386808 | 0.78 | ALDH1A1 (0.52) | NPC1RAB9AMAPTALDH1A1MEN1 | |
| SCHEMBL4403749 | 0.76 | PLAU (0.52) | NCF1PRKCICYP2A6NPC1RAB9A | |
| SCHEMBL15043775 | 0.76 | CYP2A6 (0.46) | CYP2A6NPC1RAB9AMAPTALDH1A1 | |
| SCHEMBL8901370 | 0.75 | CYP2A6 (0.45) | CYP2A6NPC1RAB9AMAPTALDH1A1 | |
| SCHEMBL22803809 | 0.74 | ESR1 (0.49) | MAPTALDH1A1KDM4EHPGD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012056372-A1 | N1/N2-LACTAM ACETYL-CoA CARBOXYLASE INHIBITORS | PFIZER INC. (US) | 2012-05-03 | — | — | WO | disclosed |