Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 6/20 | 0.41 |
| ▸ | CA2 | P00918 | 6/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 5/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 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 | |
|---|---|---|---|---|
| SCHEMBL13893376 | 0.83 | GAA (0.45) | GAATSHRCYP2D6HIF1ACA12 | |
| SCHEMBL3461978 | 0.82 | TMEM97 (0.47) | TMEM97SIGMAR1TSHRCYP2D6HIF1A | |
| SCHEMBL11295500 | 0.80 | IFNAR1 (0.46) | TMEM97SIGMAR1CA12CA2SLC6A2 | |
| SCHEMBL22385054 | 0.80 | TMEM97 (0.52) | TMEM97SIGMAR1TSHRCYP2D6CA12 | |
| SCHEMBL1135151 | 0.78 | ADRA2B (0.45) | SLC6A2SLC6A4SLC6A3KDM4EHSD17B10 | |
| SCHEMBL1682034 | 0.78 | ALDH1A1 (0.50) | GAASIGMAR1TSHRKDM4EHSD17B10 | |
| Hydrochloric Acid SCHEMBL2860880 | 0.76 | ALDH1A1 (0.48) | GAASIGMAR1TSHRKDM4EHSD17B10 | |
| SCHEMBL14376716 | 0.76 | GAA (0.49) | GAATSHRCYP2D6HIF1ACA12 | |
| SCHEMBL7930135 | 0.74 | TSHR (0.78) | TSHRCYP2D6HIF1ACA12CA2 | |
| SCHEMBL6659252 | 0.74 | CHRM2 (0.62) | GAATSHRCYP2D6HIF1ACA12 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010021919-A1 | 3- AND 6-QUINOLINES WITH N-ATTACHED HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2010-02-25 | — | — | WO | disclosed |