Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR3 | P49019 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | SNCA | P37840 | 1/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | XDH | P47989 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | CTSB | P07858 | 1/20 | 0.33 |
| ▸ | ERN1 | O75460 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9282606 | 0.79 | TSHR (0.42) | HCAR3ALDH1A1SNCAGABRA1GABRB2 | |
| SCHEMBL9001712 | 0.79 | MEN1 (0.48) | HCAR3ALDH1A1MAPTSNCAGABRA1 | |
| SCHEMBL9001711 | 0.79 | SNCA (0.53) | HCAR3ALDH1A1MAPTSNCAGABRA1 | |
| SCHEMBL13213567 | 0.78 | S100A4 (0.42) | HCAR3ALDH1A1MAPTSNCAGABRA1 | |
| SCHEMBL7645214 | 0.77 | GABRA1 (0.41) | HCAR3ALDH1A1MAPTSNCAGABRA1 | |
| SCHEMBL3179870 | 0.74 | ALDH1A1 (0.50) | ALDH1A1MAPTCYP3A4PKMMAPK1 | |
| SCHEMBL11819621 | 0.74 | POLB (0.39) | HCAR3ALDH1A1MAPTSNCAGABRA1 | |
| SCHEMBL7080582 | 0.72 | CYP1A2 (0.57) | ALDH1A1MAPTCYP3A4MAPK1CYP2D6 | |
| SCHEMBL30496244 | 0.72 | CYP1A2 (0.57) | ALDH1A1MAPTCYP3A4MAPK1CYP2D6 | |
| SCHEMBL11077537 | 0.72 | MAPT (0.45) | ALDH1A1MAPTGABRA1GABRB2CYP3A4 |
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-5382702-A | Process for the production of 5-alkoxy-2,4-dinitro-alkylbenzenes | WELLA AKTIENGESELLSCHAFT (DE) | 1995-01-17 | — | — | US | disclosed |