Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDPK1 | O15530 | 1/20 | 0.58 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | METAP1 | P53582 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | NOS1 | P29475 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 7/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 6/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.37 |
| ▸ | FBP1 | P09467 | 1/20 | 0.37 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.37 |
| ▸ | GRM5 | P41594 | 1/20 | 0.36 |
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL102331 | 0.84 | PDPK1 (0.59) | PDPK1CYP2A6TSHRMETAP1RAB9A | |
| SCHEMBL30632310 | 0.81 | PDPK1 (0.56) | PDPK1CYP2A6TSHRMETAP1RAB9A | |
| SCHEMBL31556353 | 0.81 | PDPK1 (0.56) | PDPK1CYP2A6TSHRMETAP1RAB9A | |
| SCHEMBL30534095 | 0.81 | PDPK1 (0.56) | PDPK1CYP2A6TSHRMETAP1RAB9A | |
| SCHEMBL28154527 | 0.81 | PDPK1 (0.56) | PDPK1CYP2A6TSHRMETAP1RAB9A | |
| Aminothiazole SCHEMBL6950390 | 0.78 | ALDH1A1 (0.71) | PDPK1CYP2A6TSHRNAPRTTDP1 | |
| Pyridine SCHEMBL27729484 | 0.76 | TSHR (0.41) | PDPK1CYP2A6TSHRNAPRTTDP1 | |
| Pyridine SCHEMBL28079003 | 0.75 | TSHR (0.39) | PDPK1CYP2A6TSHRNAPRTTDP1 | |
| Pyridine SCHEMBL28371825 | 0.75 | ALDH1A1 (0.46) | TDP1METAP1RAB9AALDH1A1HSD17B10 | |
| SCHEMBL4648 | 0.73 | PDPK1 (0.56) | PDPK1CYP2A6TDP1METAP1RAB9A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106632301-B | Synthesis method of pyridine-bis-thiazole carboxylic acid derivative | 云南大学 | 2020-03-17 | — | — | CN | disclosed |