Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | MAOB | P27338 | 8/20 | 0.41 |
| ▸ | MAOA | P21397 | 8/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28156187 | 0.82 | CYP3A4 (0.53) | TSHRCYP3A4TDP1HSD17B10ALDH1A1 | |
| Aniline SCHEMBL27494361 | 0.80 | TSHR (0.55) | TSHRMAOBMAOACYP19A1CYP3A4 | |
| Aniline SCHEMBL4694521 | 0.80 | TSHR (0.55) | TSHRMAOBMAOACYP19A1CYP3A4 | |
| Aniline SCHEMBL27877636 | 0.78 | TSHR (0.69) | TSHRMAOBMAOACYP19A1CYP3A4 | |
| Aniline SCHEMBL27494360 | 0.76 | TSHR (0.50) | TSHRMAOBMAOACYP19A1CYP3A4 | |
| Aniline SCHEMBL8811431 | 0.76 | TSHR (0.65) | TSHRMAOBMAOACYP19A1CYP3A4 | |
| Aniline SCHEMBL10532792 | 0.76 | TSHR (0.65) | TSHRMAOBMAOACYP19A1CYP3A4 | |
| Toluene SCHEMBL27540769 | 0.75 | ACHE (0.55) | TSHRTDP1ALDH1A1MAPTCYP2C19 | |
| Aniline SCHEMBL6013512 | 0.74 | — | — | |
| Aniline SCHEMBL28347228 | 0.74 | TSHR (0.85) | TSHRMAOBMAOACYP19A1CYP3A4 |
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-109705159-A | A kind of preparation method and application of phosphorous nitrogen ligand alkyl aluminum compound | 青岛科技大学 | 2019-05-03 | — | — | CN | claimed |