Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.42 |
| ▸ | PPARG | P37231 | 2/20 | 0.42 |
| ▸ | PPARD | Q03181 | 2/20 | 0.42 |
| ▸ | PPARA | Q07869 | 1/20 | 0.42 |
| ▸ | XDH | P47989 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.40 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.40 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 5/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL453825 | 0.82 | TYR (0.44) | PTGS2ALDH1A1MAPTKDM4EHPGD | |
| Allylbenzene SCHEMBL793935 | 0.82 | PTGS2 (0.44) | PTGS2ALDH1A1CNR2CYP3A4SMN1; SMN2 | |
| SCHEMBL27550642 | 0.82 | HDAC4 (0.40) | PTGS2ALDH1A1MAPTKDM4EHPGD | |
| SCHEMBL16167427 | 0.81 | HDAC4 (0.37) | PTGS2ALDH1A1MAPTKDM4EHPGD | |
| SCHEMBL20391477 | 0.81 | PTGS2 (0.47) | PTGS2ALDH1A1PPARGPPARDPPARA | |
| Allylbenzene SCHEMBL17500025 | 0.81 | PTGS2 (0.47) | PTGS2ALDH1A1MAPTKDM4EMEN1 | |
| SCHEMBL9774970 | 0.79 | ALDH1A1 (0.38) | PTGS2ALDH1A1PPARGPPARDPPARA | |
| SCHEMBL31275637 | 0.79 | ALDH1A1 (0.38) | PTGS2ALDH1A1PPARGPPARDPPARA | |
| SCHEMBL16167429 | 0.79 | HDAC4 (0.38) | ALDH1A1MAPTKDM4EHPGDCYP3A4 | |
| SCHEMBL11042324 | 0.79 | LMNA (0.48) | PTGS2ALDH1A1PPARGPPARDPPARA |
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-2017147102-A1 | HETEROARYL INHIBITORS OF PAD4 | PADLOCK THERAPEUTICS, INC. (US) | 2017-08-31 | — | — | WO | disclosed |
| US-6124070-A | STABILITY UNDER HIGH HUMIDITY AND AT LOW TEMPERATURE-LOW HUMIDITY, FINE PARTICLE SIZE AND A SHARP PARTICLE DIAMETER DISTRIBUTION; COMPRISING A BINDER RESIN, A COLORANT, A METHANOL-SOLUBLE RESIN HAVING ORGANIC ACID GROUPS | CANON KABUSHIKI KAISHA (JP) | 2000-09-26 | — | — | US | disclosed |