Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 2/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | CTDSP1 | Q9GZU7 | 2/20 | 0.40 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.40 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.40 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.40 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.40 |
| ▸ | NSD2 | O96028 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | GRK2 | P25098 | 1/20 | 0.39 |
| ▸ | CASP6 | P55212 | 1/20 | 0.39 |
| ▸ | CXCL8 | P10145 | 4/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3230868 | 0.89 | AKR1B1 (0.47) | AKR1B1PTGS2TDP1KDM4ECYP2C9 | |
| SCHEMBL28084372 | 0.77 | ALDH1A1 (0.34) | TBXAS1KDM4ECYP1A2MAPTCYP2C9 | |
| SCHEMBL24656172 | 0.74 | KDM4E (0.45) | AKR1B1PTGS2TDP1TBXAS1KDM4E | |
| SCHEMBL27477607 | 0.74 | TBXAS1 (0.42) | PTGS2TDP1TBXAS1KMT2A | |
| SCHEMBL25515799 | 0.74 | APOBEC3G (0.38) | TBXAS1KDM4ECYP1A2MAPTHPGD | |
| SCHEMBL12540739 | 0.73 | KDM4E (0.47) | AKR1B1PTGS2TDP1TBXAS1KDM4E | |
| SCHEMBL29410826 | 0.73 | AKR1B1 (0.76) | AKR1B1PTGS2TDP1KDM4ECYP1A2 | |
| SCHEMBL30359 | 0.73 | AKR1B1 (0.76) | AKR1B1PTGS2TDP1KDM4ECYP1A2 | |
| SCHEMBL28842838 | 0.71 | AKR1B1 (0.73) | AKR1B1PTGS2TDP1KDM4ECYP1A2 | |
| Hydrochloric Acid SCHEMBL6767821 | 0.71 | AKR1B1 (0.73) | AKR1B1PTGS2TDP1KDM4ECYP1A2 |
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-113164444-A | DOCK1 inhibiting compounds and uses thereof | 国立大学法人九州大学 | 2021-07-23 | — | — | CN | disclosed |
| US-5674879-A | Compositions including and methods of using conformationally restricted angiotensin II antagonist | G.D. SEARLE & CO. (US) | 1997-10-07 | — | — | US | disclosed |