Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | KDM1A | O60341 | 1/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | PLK4 | O00444 | 1/20 | 0.31 |
| ▸ | HEXA | P06865 | 1/20 | 0.31 |
| ▸ | HEXB | P07686 | 1/20 | 0.31 |
| ▸ | NOS3 | P29474 | 2/20 | 0.31 |
| ▸ | NOS2 | P35228 | 2/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | DHFR | P00374 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10649686 | 0.86 | NR1H2 (0.38) | CYP3A4MAPTRXFP1TDP1ALDH1A1 | |
| SCHEMBL10522227 | 0.80 | ALDH1A1 (0.45) | HTTMAPTTDP1ALDH1A1DHFR | |
| SCHEMBL10519453 | 0.80 | CYP3A4 (0.45) | TSHRCYP3A4MAPK1HTTMAPT | |
| SCHEMBL24494887 | 0.76 | THRB (0.40) | MAPTRXFP1NUDT1TDP1ALDH1A1 | |
| SCHEMBL3839683 | 0.71 | CYP3A4 (0.46) | TSHRCYP3A4MAPK1HTTMAPT | |
| SCHEMBL10522538 | 0.70 | CYP3A4 (0.45) | TSHRCYP3A4MAPK1HTTMAPT | |
| SCHEMBL18031204 | 0.70 | NUDT1 (0.59) | NUDT1HEXAHEXBNOS3NOS2 | |
| Aniline SCHEMBL10518585 | 0.69 | HEXA (0.37) | TSHRNUDT1ALDH1A1POLBHEXA | |
| Hydrochloric Acid SCHEMBL28160350 | 0.69 | NUDT1 (0.58) | NUDT1HEXAHEXBNOS3NOS2 | |
| SCHEMBL24270324 | 0.68 | CYP3A4 (0.64) | TSHRCYP3A4MAPK1HTTMAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-4797146-A | INSECTICIDES, FUNGICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1989-01-10 | — | — | US | disclosed |
| EP-0226885-A1 | Pyrimidylmercapto-acylanilides | BAYER AG (DE) | 1987-07-01 | — | — | EP | disclosed |