Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.38 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 2/20 | 0.35 |
| ▸ | HTR2C | P28335 | 2/20 | 0.35 |
| ▸ | HTR2B | P41595 | 2/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.35 |
| ▸ | EBP | Q15125 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL26251994 | 0.83 | SIGMAR1 (0.50) | ALDH1A1LMNAKDM4EMAPTHPGD | |
| SCHEMBL11536144 | 0.83 | ALDH1A1 (0.47) | NOTUMALDH1A1LMNAKDM4EMAPT | |
| SCHEMBL23024326 | 0.82 | BACE1 (0.45) | MAPK1 | |
| SCHEMBL29637645 | 0.82 | BACE1 (0.45) | MAPK1 | |
| SCHEMBL25389197 | 0.78 | SIGMAR1 (0.52) | ALDH1A1MAPTHTR2AHTR2CHTR2B | |
| SCHEMBL4367103 | 0.77 | HRH3 (0.60) | HRH3ALDH1A1MAPTSIGMAR1NPY5R | |
| SCHEMBL4367104 | 0.77 | HRH3 (0.60) | HRH3ALDH1A1MAPTSIGMAR1NPY5R | |
| SCHEMBL13904326 | 0.76 | DRD2 (0.57) | HRH3LMNAHTR2AHTR2CHTR2B | |
| SCHEMBL25390138 | 0.76 | ALDH1A1 (0.41) | ALDH1A1LMNAKDM4EMAPTHPGD | |
| SCHEMBL23024448 | 0.75 | GPR3 (0.37) | HRH3L3MBTL1 |
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-3768668-A1 | SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF | Relay Therapeutics, Inc. (US) | 2021-01-27 | — | — | EP | disclosed |
| WO-2019183367-A1 | SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF | RELAY THERAPEUTICS, INC. (US) | 2019-09-26 | — | — | WO | disclosed |