Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 5/20 | 0.46 |
| ▸ | HTT | P42858 | 3/20 | 0.46 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.39 |
| ▸ | GGPS1 | O95749 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28269452 | 0.88 | GRIN1 (0.38) | IDO1HTTCYP3A4ALDH1A1MAPT | |
| SCHEMBL28269555 | 0.79 | PKM (0.56) | IDO1HTTPYCR1ALDH1A1SMN1; SMN2 | |
| SCHEMBL2022033 | 0.75 | PKM (0.36) | ALDH1A1MAPTSMN1; SMN2NPSR1TDP1 | |
| SCHEMBL11455197 | 0.74 | GABRP (0.48) | HTTMAPK1ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL29858572 | 0.74 | PKM (0.60) | IDO1HTTCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL14108767 | 0.74 | PKM (0.60) | IDO1HTTCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL28269548 | 0.74 | IDO1 (0.46) | IDO1HTTPYCR1CYP2C9CYP2C19 | |
| SCHEMBL5908877 | 0.74 | IDO1 (0.54) | IDO1HTTPYCR1CYP1A2CYP3A4 | |
| SCHEMBL6695184 | 0.72 | HTR3E (0.50) | IDO1PYCR1CYP3A4 | |
| SCHEMBL28267902 | 0.72 | PNMT (0.50) | IDO1CYP3A4ALDH1A1MAPTPOLB |
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-109336799-A | N- benzylamino Thiourea element enzyme inhibitor and its preparation method and purposes | 吉首大学 | 2019-02-15 | — | — | CN | disclosed |