Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19970453 | 0.88 | ALDH1A1 (0.60) | ALDH1A1TSHRTHRB | |
| SCHEMBL22247 | 0.88 | — | — | |
| SCHEMBL10605335 | 0.86 | — | — | |
| SCHEMBL987828 | 0.84 | ALDH1A1 (0.56) | ALDH1A1TSHRTHRB | |
| SCHEMBL5839297 | 0.84 | ALDH1A1 (0.56) | ALDH1A1TSHRTHRB | |
| SCHEMBL989839 | 0.84 | ALDH1A1 (0.56) | ALDH1A1TSHRTHRB | |
| Ether SCHEMBL9494752 | 0.84 | ALDH1A1 (0.39) | ALDH1A1TSHRTDP1 | |
| Ether SCHEMBL9258257 | 0.84 | ALDH1A1 (0.39) | ALDH1A1TSHRTDP1 | |
| SCHEMBL9639226 | 0.84 | ALDH1A1 (0.56) | ALDH1A1TSHRTHRB | |
| Ether SCHEMBL9567021 | 0.84 | ALDH1A1 (0.39) | ALDH1A1TSHRTDP1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106458970-B | The polymorph and its manufacturing method of pyridine derivate | 帝人制药株式会社 | 2019-09-13 | — | — | CN | disclosed |
| CN-106536519-B | The crystal of azoles benzene derivative | 帝人制药株式会社 | 2019-03-29 | — | — | CN | disclosed |
| CN-104968662-B | Azole benzene derivative | 帝人制药株式会社 | 2018-03-30 | — | — | CN | disclosed |
| CN-105189476-B | Pyrazole derivatives | 帝人制药株式会社 | 2017-07-07 | — | — | CN | disclosed |
| CN-106536519-A | Crystal of azole benzene derivative | 帝人制药株式会社 | 2017-03-22 | — | — | CN | disclosed |
| CN-106458970-A | Novel crystalline polymorph of pyridine derivative, and method for producing same | 帝人制药株式会社 | 2017-02-22 | — | — | CN | disclosed |
| CN-106458998-A | Pyrazine derivative | 帝人制药株式会社 | 2017-02-22 | — | — | CN | disclosed |