Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | IDO1 | P14902 | 2/20 | 0.43 |
| ▸ | AGXT | P21549 | 2/20 | 0.43 |
| ▸ | NOS3 | P29474 | 1/20 | 0.42 |
| ▸ | NOS1 | P29475 | 1/20 | 0.42 |
| ▸ | NOS2 | P35228 | 1/20 | 0.42 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Ethylamine SCHEMBL27972603 | 0.86 | PNMT (0.58) | PNMTALDH1A1TSHRTAAR1CYP3A4 | |
| Alcohol SCHEMBL27497858 | 0.86 | TSHR (0.52) | PNMTALDH1A1TSHRTAAR1NOS3 | |
| Chloromethane SCHEMBL27517684 | 0.84 | TSHR (0.55) | PNMTALDH1A1TSHRTAAR1 | |
| SCHEMBL28140 | 0.84 | — | — | |
| SCHEMBL28129975 | 0.84 | TSHR (0.61) | PNMTALDH1A1TSHRTAAR1KMT2A | |
| Methylamine SCHEMBL27796203 | 0.81 | ALDH1A1 (0.60) | PNMTALDH1A1TSHRTAAR1CYP3A4 | |
| Bromomethane SCHEMBL27487210 | 0.81 | TSHR (0.52) | PNMTALDH1A1TSHRTAAR1 | |
| Tetrylammonium SCHEMBL11252335 | 0.81 | CYP2D6 (0.47) | PNMTALDH1A1TSHRTAAR1CYP3A4 | |
| SCHEMBL28942079 | 0.81 | ALDH1A1 (0.50) | ALDH1A1TSHRKMT2ANOS3NOS1 | |
| SCHEMBL1864120 | 0.81 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1524071-A | Malononitrile compounds and their use as pesticides | ס�ѻ�ѧ��ҵ��ʽ���� | 2004-08-25 | — | — | CN | disclosed |