Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 6/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 3/20 | 0.38 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.36 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.36 |
| ▸ | MRGPRX1 | Q96LB2 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | CTSL | P07711 | 2/20 | 0.35 |
| ▸ | CTSB | P07858 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL17447412 | 0.82 | HSD17B10 (0.52) | LMNAHPGDCYP1A2CYP3A4CYP2C19 | |
| SCHEMBL17445846 | 0.75 | STAT3 (0.46) | LMNAHPGDCYP1A2CYP3A4CYP2C19 | |
| SCHEMBL3354607 | 0.69 | POLB (0.49) | LMNAHPGDCYP1A2CYP2C19ALDH1A1 | |
| SCHEMBL3354613 | 0.69 | POLB (0.49) | LMNAHPGDCYP1A2CYP2C19ALDH1A1 | |
| SCHEMBL17447423 | 0.68 | MEN1 (0.50) | LMNAHPGDALDH1A1MAPTTDP1 | |
| SCHEMBL17447388 | 0.68 | ALOX5 (0.41) | LMNAHPGDALDH1A1MAPTHSD17B10 | |
| SCHEMBL17445812 | 0.68 | MAOB (0.52) | LMNAALDH1A1MAPTTDP1MEN1 | |
| SCHEMBL7310914 | 0.66 | ALDH1A1 (0.50) | LMNAHPGDALDH1A1MAPTPOLB | |
| SCHEMBL7310907 | 0.66 | ALDH1A1 (0.50) | LMNAHPGDALDH1A1MAPTPOLB | |
| SCHEMBL17445830 | 0.65 | ALDH1A1 (0.57) | HPGDCYP1A2CYP3A4CYP2C19ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9586890-B2 | Screening methods for the binding affinity of chemical entities to biological molecules and NEDD4-1 inhibitors identified by the screening methods | NORTHWESTERN UNIVERSITY (US) | 2017-03-07 | — | — | US | disclosed |