Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | CTSD | P07339 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.49 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | CDC25B | P30305 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL411359 | 0.93 | ALDH1A1 (0.59) | ALDH1A1MAPK1CTSDNPC1RAB9A | |
| SCHEMBL27637513 | 0.93 | ALDH1A1 (0.59) | ALDH1A1MAPK1CTSDNPC1RAB9A | |
| Water SCHEMBL4951772 | 0.91 | ALDH1A1 (0.58) | ALDH1A1MAPK1CTSDNPC1RAB9A | |
| Water SCHEMBL28136320 | 0.91 | ALDH1A1 (0.58) | ALDH1A1MAPK1CTSDNPC1RAB9A | |
| Benzophenone SCHEMBL27809239 | 0.91 | ALDH1A1 (0.58) | ALDH1A1MAPK1CTSDNPC1RAB9A | |
| Hydrogen Sulfide SCHEMBL28794532 | 0.91 | ALDH1A1 (0.58) | ALDH1A1MAPK1CTSDNPC1RAB9A | |
| SCHEMBL28110765 | 0.91 | ALDH1A1 (0.58) | ALDH1A1MAPK1CTSDNPC1RAB9A | |
| SCHEMBL28783981 | 0.91 | ALDH1A1 (0.58) | ALDH1A1MAPK1CTSDNPC1RAB9A | |
| Methane SCHEMBL28075995 | 0.91 | ALDH1A1 (0.58) | ALDH1A1MAPK1CTSDNPC1RAB9A | |
| Benzene SCHEMBL28261609 | 0.91 | ALDH1A1 (0.58) | ALDH1A1MAPK1CTSDNPC1RAB9A |
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-108863962-A | A kind of phenyl containing 1- -1, the amides compound of 2,3- triazole structures and its application | 南京农业大学 | 2018-11-23 | — | — | CN | disclosed |
| CN-104151391-B | A kind of oleanolic acid derivate with antitumor action and its production and use | 沈阳药科大学 | 2016-08-24 | — | — | CN | disclosed |