Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | RXRB | P28702 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
| ▸ | CETP | P11597 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | STS | P08842 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 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 | |
|---|---|---|---|---|
| SCHEMBL2990486 | 0.98 | TSHR (0.42) | ALDH1A1HPGDTSHRRXRBADRA2A | |
| SCHEMBL1466332 | 0.95 | RXRB (0.42) | ALDH1A1HPGDTSHRRXRBADRA2A | |
| SCHEMBL10773358 | 0.91 | ALDH1A1 (0.36) | ALDH1A1HPGDTSHRRXRBADRA2A | |
| SCHEMBL162032 | 0.81 | HTR2C (0.57) | ADRA2AADRA2BADRA2CHRH3 | |
| SCHEMBL7862501 | 0.80 | NPC1 (0.41) | ALDH1A1HPGDRXRBADRA2ALMNA | |
| Bromide SCHEMBL174563 | 0.79 | HTR2C (0.55) | ADRA2AADRA2BADRA2CHRH3 | |
| SCHEMBL9720050 | 0.78 | TSHR (0.46) | ALDH1A1HPGDTSHRRXRBADRA2A | |
| SCHEMBL5957796 | 0.77 | KMT2A (0.46) | ALDH1A1TSHRRXRBADRA2AADRA2B | |
| SCHEMBL10118337 | 0.77 | GRIN2B (0.45) | ALDH1A1HPGDTSHRRXRBADRA2A | |
| SCHEMBL21390901 | 0.77 | NPC1 (0.51) | ALDH1A1TSHRCETPLMNACYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2674428-B1 | Modulators of ATP-binding cassette transporters | VERTEX PHARMA (US) | 2016-04-06 | — | — | EP | disclosed |