Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | MC4R | P32245 | 3/20 | 0.41 |
| ▸ | MC5R | P33032 | 2/20 | 0.41 |
| ▸ | MC3R | P41968 | 2/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | HTR1B | P28222 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 4/20 | 0.39 |
| ▸ | HRH1 | P35367 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 1/20 | 0.38 |
| ▸ | AGXT | P21549 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 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 | |
|---|---|---|---|---|
| Naphthalene SCHEMBL28682519 | 0.83 | CYP2A6 (0.53) | CYP2A6ALOX12KDM4EALDH1A1TSHR | |
| Biphenyl SCHEMBL5180725 | 0.82 | TAAR1 (0.46) | MAOAHTR2AHRH1ALDH1A1HSD17B10 | |
| Acridine SCHEMBL9614417 | 0.81 | ALDH1A1 (0.58) | KDM4EALDH1A1HSD17B10GAAMAPT | |
| Phenol SCHEMBL11594523 | 0.80 | TDP1 (0.52) | CYP2A6MAOAHTR2AHRH1KDM4E | |
| Benzene SCHEMBL11839120 | 0.80 | TSHR (0.47) | MAOAHTR2AHRH1ALDH1A1TSHR | |
| Naphthalene SCHEMBL28427291 | 0.78 | MAOA (0.50) | CYP2A6ALOX12MC4RMC5RMC3R | |
| SCHEMBL8352256 | 0.77 | MAOA (0.68) | CYP2A6MAOAHTR2ASMN1; SMN2TAAR1 | |
| Naphthalene SCHEMBL1080458 | 0.76 | CYP2A6 (0.61) | CYP2A6ALOX12KDM4EALDH1A1TSHR | |
| SCHEMBL17028873 | 0.76 | TSHR (0.58) | ALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL16933 | 0.76 | — | — |
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-4402731-A | Herbicidally active novel substituted tetrahydropyrimidinones | NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) | 1983-09-06 | — | — | US | disclosed |