Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | GABRP | O00591 | 1/20 | 0.37 |
| ▸ | GABRD | O14764 | 1/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.37 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.37 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.37 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.37 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.37 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.37 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.37 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.37 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.37 |
| ▸ | GABRE | P78334 | 1/20 | 0.37 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.37 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.37 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.37 |
| ▸ | GABRQ | Q9UN88 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9769283 | 0.80 | THRB (0.50) | NR1H4THRBPOLBTSHRALDH1A1 | |
| SCHEMBL9769198 | 0.80 | GLA (0.38) | GLAPOLBGAATSHRALDH1A1 | |
| SCHEMBL423115 | 0.80 | GABRP (0.44) | MAPTGABRPGABRDGABRA1GABRB1 | |
| SCHEMBL16014658 | 0.78 | NR1H4 (0.44) | MAPTNR1H4POLBKDRNOTUM | |
| SCHEMBL8156118 | 0.76 | TTR (0.40) | THRBGABRPGABRDGABRA1GABRB1 | |
| SCHEMBL9769361 | 0.76 | THRB (0.41) | NR1H4THRBPOLBTSHRALDH1A1 | |
| SCHEMBL8572700 | 0.75 | CYP3A4 (0.46) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL20045608 | 0.75 | CYP3A4 (0.46) | MAPTTHRBGLAPOLBGAA | |
| SCHEMBL30739915 | 0.75 | CYP3A4 (0.46) | MAPTTHRBGLAPOLBGAA | |
| SCHEMBL31460347 | 0.75 | THRB (0.44) | MAPTNR1H4THRBPOLBGAA |
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-105102449-A | Antiviral compounds | HOFFMANN LA ROCHE | 2015-11-25 | — | — | CN | disclosed |
| US-5068436-A | Hydrogenation of halonitrobenzenes without dehalogenation | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1991-11-26 | — | — | US | disclosed |