Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | CASP3 | P42574 | 1/20 | 0.40 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.40 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.40 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | GALR3 | O60755 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29551918 | 0.93 | ALDH1A1 (0.46) | ALDH1A1TDP1TSHRGPR35NPC1 | |
| SCHEMBL399194 | 0.93 | ALDH1A1 (0.46) | ALDH1A1TDP1TSHRGPR35NPC1 | |
| SCHEMBL28295087 | 0.90 | ALDH1A1 (0.44) | ALDH1A1TDP1TSHRGPR35NPC1 | |
| SCHEMBL25874904 | 0.90 | ALDH1A1 (0.44) | ALDH1A1TDP1TSHRGPR35NPC1 | |
| SCHEMBL10977678 | 0.85 | KMT2A (0.54) | ALDH1A1TDP1TSHRGPR35MAPK1 | |
| SCHEMBL13376134 | 0.83 | ALDH1A1 (0.60) | ALDH1A1TDP1TSHRGPR35NPC1 | |
| SCHEMBL397673 | 0.77 | ALDH1A1 (0.45) | ALDH1A1TDP1TSHRMAPK1HTT | |
| SCHEMBL8347607 | 0.76 | CD69 (0.43) | ALDH1A1TDP1TSHRGPR35NPC1 | |
| SCHEMBL397532 | 0.76 | GPR35 (0.62) | ALDH1A1TDP1TSHRGPR35NPC1 | |
| SCHEMBL27469667 | 0.75 | TDP1 (0.63) | ALDH1A1TDP1TSHRGPR35MAPK1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110267948-A | Modulators of cystic fibrosis transmembrane conductance regulator, pharmaceutical compositions, methods of treatment, and methods of making the modulators | 弗特克斯药品有限公司 | 2019-09-20 | — | — | CN | disclosed |
| CN-109803962-A | Modulators of cystic fibrosis transmembrane conductance regulator proteins, pharmaceutical compositions, methods of treatment, and methods for making the modulators | 弗特克斯药品有限公司 | 2019-05-24 | — | — | CN | disclosed |
| CN-107501099-A | The adjusting control agent of ATP combination cassette transporters | 沃泰克斯药物股份有限公司 | 2017-12-22 | — | — | CN | disclosed |
| CN-104788328-B | The adjusting control agent of ATP combination cassette transporters | 沃泰克斯药物股份有限公司 | 2017-09-12 | — | — | CN | disclosed |
| CN-103641765-B | ATP-combines the adjusting control agent of cassette transporters | 沃泰克斯药物股份有限公司 | 2016-08-17 | — | — | CN | disclosed |