Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | GPR35 | Q9HC97 | 5/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | SCN1A | P35498 | 1/20 | 0.41 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.41 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.41 |
| ▸ | HCAR3 | P49019 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | STAT1 | P42224 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL7028014 | 0.89 | CYP1A2 (0.47) | ALDH1A1KMT2AL3MBTL1POLBTDP1 | |
| SCHEMBL28104289 | 0.85 | GPR35 (0.48) | ALDH1A1GPR35HCAR3MAPTGAA | |
| SCHEMBL28104480 | 0.80 | GPR35 (0.46) | ALDH1A1KMT2AL3MBTL1TDP1GPR35 | |
| SCHEMBL16737182 | 0.79 | MAPT (0.56) | ALDH1A1KMT2AL3MBTL1POLBTDP1 | |
| SCHEMBL4958017 | 0.78 | POLB (0.49) | ALDH1A1KMT2AL3MBTL1POLBCYP1A2 | |
| SCHEMBL4785611 | 0.73 | ALDH1A1 (0.53) | ALDH1A1KMT2AL3MBTL1POLBTDP1 | |
| SCHEMBL7029623 | 0.73 | HCAR3 (0.36) | ALDH1A1KMT2AL3MBTL1POLBTDP1 | |
| SCHEMBL28278344 | 0.73 | CA12 (0.49) | ALDH1A1POLBHCAR3NAAA | |
| SCHEMBL7026698 | 0.72 | KMT2A (0.43) | ALDH1A1KMT2AL3MBTL1POLBTDP1 | |
| Hydrochloric Acid SCHEMBL7028074 | 0.72 | HCAR3 (0.36) | ALDH1A1KMT2AL3MBTL1POLBTDP1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106167497-B | Heteroaryl and hybar X analog derivative and application thereof | 浙江大学 | 2018-07-31 | — | — | CN | disclosed |
| CN-106167497-A | Heteroaryl hybar X analog derivative and application thereof | 浙江大学 | 2016-11-30 | — | — | CN | disclosed |