Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLAU | P00749 | 3/20 | 0.52 |
| ▸ | BACE1 | P56817 | 3/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | NCF1 | P14598 | 6/20 | 0.44 |
| ▸ | NOS2 | P35228 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | PRKCI | P41743 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | NCK1 | P16333 | 1/20 | 0.43 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | TNNI3 | P19429 | 1/20 | 0.40 |
| ▸ | TNNT2 | P45379 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | TNNC1 | P63316 | 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 | |
|---|---|---|---|---|
| SCHEMBL4403751 | 0.87 | BACE1 (0.55) | PLAUBACE1CYP2A6CA2NCF1 | |
| SCHEMBL2671555 | 0.83 | PLAU (0.57) | PLAUBACE1NCF1NOS2MAPT | |
| SCHEMBL15043775 | 0.81 | CYP2A6 (0.46) | CYP2A6CA2MAPTALDH1A1HPGD | |
| SCHEMBL4145913 | 0.81 | PLAU (0.49) | PLAUBACE1NCF1NOS2NCK1 | |
| SCHEMBL16947985 | 0.81 | PLAU (0.52) | PLAUBACE1CA2NCF1MAPT | |
| SCHEMBL9015187 | 0.79 | CYP1A2 (0.53) | CYP2A6MAPTALDH1A1HPGDMEN1 | |
| SCHEMBL10151651 | 0.77 | MAP4K4 (0.42) | CYP2A6CA2MAPTPRKCIALDH1A1 | |
| SCHEMBL4407433 | 0.76 | NCF1 (0.48) | CYP2A6NCF1MAPTPRKCIALDH1A1 | |
| SCHEMBL4410086 | 0.75 | MTNR1A (0.54) | CYP2A6MAPTALDH1A1HPGDKDM4E | |
| SCHEMBL9015204 | 0.74 | CYP2A6 (0.42) | CYP2A6MAPTALDH1A1HPGDKDM4E |
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 |