Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLD1 | Q13393 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 4/20 | 0.40 |
| ▸ | HTR2C | P28335 | 6/20 | 0.40 |
| ▸ | HTR2B | P41595 | 6/20 | 0.40 |
| ▸ | HTR2A | P28223 | 5/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28059066 | 0.83 | ALDH1A1 (0.41) | ALDH1A1KDM4EHSD17B10CYP2D6TSHR | |
| SCHEMBL20129613 | 0.79 | PLD1 (0.54) | PLD1ALDH1A1HSD17B10CYP2D6TSHR | |
| SCHEMBL20129603 | 0.79 | PLD1 (0.54) | PLD1ALDH1A1HSD17B10CYP2D6TSHR | |
| SCHEMBL20141500 | 0.79 | PLD1 (0.54) | PLD1ALDH1A1HSD17B10CYP2D6TSHR | |
| SCHEMBL30531432 | 0.79 | PLD1 (0.54) | PLD1ALDH1A1HSD17B10CYP2D6TSHR | |
| SCHEMBL2222270 | 0.78 | GPR119 (0.45) | ALDH1A1KDM4EMAPTHSD17B10CYP2D6 | |
| Hydrochloric Acid SCHEMBL20141815 | 0.77 | PLD1 (0.53) | PLD1ALDH1A1HSD17B10CYP2D6TSHR | |
| Hydrochloric Acid SCHEMBL20141813 | 0.77 | PLD1 (0.53) | PLD1ALDH1A1HSD17B10CYP2D6TSHR | |
| SCHEMBL29464840 | 0.77 | PLD1 (0.49) | PLD1ALDH1A1KDM4EHSD17B10CYP2D6 | |
| SCHEMBL15415232 | 0.76 | HTR2C (0.32) | HTR2CHTR2BHTR2AADRB1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105814056-B | purine derivatives as modulators of TNF activity | UCB生物制药私人有限公司 | 2017-10-10 | — | — | CN | disclosed |
| CN-105829307-A | TETRAHYDROIMIDAZOPYRIDINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY | UCB生物制药私人有限公司 | 2016-08-03 | — | — | CN | disclosed |
| CN-105814051-A | Tetrahydroimidazopyridine derivatives as modulators of TNF activity | UCB生物制药私人有限公司 | 2016-07-27 | — | — | CN | disclosed |
| CN-105814025-A | Tetrahydrobenzimidazole derivatives as modulators of TNF activity | UCB生物制药私人有限公司 | 2016-07-27 | — | — | CN | disclosed |