Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | HTT | P42858 | 3/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.51 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.51 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | MITF | O75030 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | P2RY6 | Q15077 | 1/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7378584 | 0.85 | ALDH1A1 (0.43) | ALDH1A1HSP90AA1MAPTHTTNPSR1 | |
| SCHEMBL7378588 | 0.83 | ALDH1A1 (0.41) | ALDH1A1HSP90AA1MAPTHTTNPSR1 | |
| SCHEMBL28728423 | 0.82 | TSHR (0.67) | ALDH1A1HSP90AA1MAPTHTTNPSR1 | |
| SCHEMBL9124019 | 0.78 | ALDH1A1 (0.67) | ALDH1A1HSP90AA1MAPTHTTNPSR1 | |
| SCHEMBL10729521 | 0.76 | TSHR (0.57) | ALDH1A1HSP90AA1MAPTHTTNPSR1 | |
| SCHEMBL3874391 | 0.76 | ALDH1A1 (0.60) | ALDH1A1HSP90AA1MAPTHTTNPSR1 | |
| SCHEMBL1507602 | 0.76 | TSHR (0.57) | ALDH1A1HSP90AA1MAPTHTTNPSR1 | |
| SCHEMBL29433452 | 0.76 | TSHR (0.57) | ALDH1A1HSP90AA1MAPTHTTNPSR1 | |
| SCHEMBL20501706 | 0.76 | ALDH1A1 (0.60) | ALDH1A1HSP90AA1MAPTHTTNPSR1 | |
| SCHEMBL30866521 | 0.76 | ALDH1A1 (0.60) | ALDH1A1HSP90AA1MAPTHTTNPSR1 |
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-105693701-B | Modulators of ATP-binding cassette transporters | 弗特克斯药品有限公司 | 2021-08-10 | — | — | CN | disclosed |