Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 6/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | PDE4A | P27815 | 1/20 | 0.38 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | RAD52 | P43351 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6431944 | 0.79 | GRM5 (0.51) | GRM5CYP1A2 | |
| Hydrochloric Acid SCHEMBL7377474 | 0.78 | GRM5 (0.50) | GRM5CYP1A2 | |
| SCHEMBL1669168 | 0.71 | KDM4E (0.46) | CYP1A2KDM4EALDH1A1GAAMAPT | |
| SCHEMBL28209834 | 0.66 | PDE10A (0.47) | PDE10AKDM4EALDH1A1GAAMAPT | |
| SCHEMBL4980429 | 0.65 | GRM5 (0.68) | GRM5NPC1RAB9AHCRTR1 | |
| Methyl Alcohol SCHEMBL28902013 | 0.65 | GRM5 (0.67) | GRM5CYP1A2ALDH1A1MAPTPKM | |
| SCHEMBL352291 | 0.64 | GRM5 (0.65) | GRM5CYP1A2TDP1 | |
| SCHEMBL21360714 | 0.64 | MAOA (0.56) | CYP1A2KDM4EALDH1A1GAAMAPT | |
| Hydrochloric Acid SCHEMBL3839867 | 0.64 | GRM5 (0.67) | GRM5NPC1RAB9AHCRTR1TDP1 | |
| SCHEMBL8887830 | 0.63 | ALDH1A1 (0.50) | GRM5CYP1A2NPC1RAB9AHCRTR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1214303-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF | Merck & Co., Inc. (US) | 2002-06-19 | — | — | EP | disclosed |
| WO-2001016121-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF | MERCK & CO., INC. (US) | 2001-03-08 | — | — | WO | disclosed |