Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | ERN1 | O75460 | 1/20 | 0.35 |
| ▸ | TLR2 | O60603 | 1/20 | 0.34 |
| ▸ | GSK3A | P49840 | 1/20 | 0.33 |
| ▸ | CDK9 | P50750 | 1/20 | 0.33 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.33 |
| ▸ | TAOK1 | Q7L7X3 | 1/20 | 0.33 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 2/20 | 0.33 |
| ▸ | METAP2 | P50579 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL23174730 | 0.79 | ATM (0.47) | CYP2A6KDM4EMAPTCYP1A2L3MBTL1 | |
| SCHEMBL2226466 | 0.77 | ABL1 (0.44) | ABL1CYP2A6KDM4EMEN1ALDH1A1 | |
| SCHEMBL10272932 | 0.77 | CYP2A6 (0.42) | ABL1CYP2A6KDM4EMEN1ALDH1A1 | |
| SCHEMBL30718639 | 0.77 | ABL1 (0.44) | ABL1CYP2A6KDM4EMEN1ALDH1A1 | |
| SCHEMBL28300308 | 0.77 | ABL1 (0.37) | ABL1CYP2A6KDM4EMEN1ALDH1A1 | |
| SCHEMBL1641540 | 0.75 | ABL1 (0.42) | ABL1CYP2A6KDM4EMEN1ALDH1A1 | |
| SCHEMBL266084 | 0.75 | BACE1 (0.49) | CYP2A6KDM4EMEN1ALDH1A1MAPT | |
| SCHEMBL525153 | 0.74 | CYP2A6 (0.46) | CYP2A6KDM4EMEN1ALDH1A1MAPT | |
| SCHEMBL622260 | 0.74 | GBA1 (0.41) | KDM4EALDH1A1MAPTKMT2A | |
| SCHEMBL29600434 | 0.74 | GBA1 (0.41) | KDM4EALDH1A1MAPTKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011091446-A1 | CHEMICAL COMPOUNDS | GLAXOSMITHKLINE LLC (US) | 2011-07-28 | — | — | WO | disclosed |
| WO-2010127208-A1 | INHIBITORS OF ACETYL-COA CARBOXYLASE | FOREST LABORATORIES HOLDINGS LIMITED (BM) | 2010-11-04 | — | — | WO | disclosed |