Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | PGK1 | P00558 | 1/20 | 0.53 |
| ▸ | PGK2 | P07205 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CRHBP | P24387 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 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 | |
|---|---|---|---|---|
| SCHEMBL695751 | 0.80 | ALDH1A1 (0.60) | ALDH1A1TDP1TSHRCYP3A4CYP1A2 | |
| SCHEMBL10139118 | 0.79 | ALDH1A1 (0.64) | ALDH1A1TDP1TSHRCYP3A4CYP1A2 | |
| SCHEMBL11188405 | 0.79 | ALDH1A1 (0.64) | ALDH1A1TDP1TSHRCYP3A4CYP1A2 | |
| SCHEMBL28546352 | 0.79 | CA1 (0.48) | ALDH1A1TDP1TSHRCYP3A4CYP1A2 | |
| SCHEMBL10941977 | 0.77 | ALDH1A1 (0.56) | ALDH1A1TDP1TSHRCYP3A4CYP1A2 | |
| SCHEMBL695556 | 0.76 | ALDH1A1 (0.61) | ALDH1A1TDP1TSHRCYP3A4CYP1A2 | |
| SCHEMBL11304556 | 0.76 | ALDH1A1 (0.61) | ALDH1A1TDP1TSHRCYP3A4CYP1A2 | |
| SCHEMBL8110785 | 0.76 | ALDH1A1 (0.60) | ALDH1A1TDP1TSHRCYP3A4CYP1A2 | |
| SCHEMBL30933154 | 0.76 | ALDH1A1 (0.61) | ALDH1A1TDP1TSHRCYP3A4CYP1A2 | |
| SCHEMBL917348 | 0.76 | ALDH1A1 (0.60) | ALDH1A1TDP1TSHRCYP3A4CYP1A2 |
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-105658635-B | Thieno naphthenic base or thieno heterocycle analog derivative, preparation method and its application in medicine | 江苏恒瑞医药股份有限公司 | 2019-03-08 | — | — | CN | disclosed |
| CN-105658635-A | Thienocycloalkyl or thienoheterocyclic derivatives, preparation method thereof and use thereof in medicine | 江苏恒瑞医药股份有限公司 | 2016-06-08 | — | — | CN | disclosed |