Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | HTR2A | P28223 | 2/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | CASP3 | P42574 | 1/20 | 0.42 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.40 |
| ▸ | SELE | P16581 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL17184661 | 0.83 | HTR2A (0.51) | ALDH1A1HTR2ASLC6A4KCNH2KMT2A | |
| SCHEMBL15968586 | 0.80 | ALDH1A1 (0.58) | NOTUMALDH1A1KMT2AMAPTMEN1 | |
| SCHEMBL29825107 | 0.80 | ALDH1A1 (0.58) | NOTUMALDH1A1KMT2AMAPTMEN1 | |
| SCHEMBL2671292 | 0.77 | NOTUM (0.46) | NOTUMALDH1A1KMT2AMAPTUSP2 | |
| SCHEMBL21363204 | 0.76 | NOTUM (0.57) | NOTUMALDH1A1KMT2AMAPTCASP3 | |
| SCHEMBL370483 | 0.76 | USP2 (0.49) | ALDH1A1KMT2AMAPTMEN1USP2 | |
| SCHEMBL26563554 | 0.74 | CARM1 (0.50) | NOTUMALDH1A1KMT2AMAPTMEN1 | |
| SCHEMBL16319599 | 0.74 | SCN9A (0.52) | NOTUMMAPTLMNAGAASCN9A | |
| SCHEMBL22169879 | 0.74 | KMT2A (0.59) | NOTUMALDH1A1KMT2AMAPTUSP2 | |
| SCHEMBL17185227 | 0.73 | ALDH1A1 (0.55) | NOTUMALDH1A1KMT2AMAPTMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015161014-A1 | HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2015-10-22 | — | — | WO | disclosed |
| WO-2015161011-A1 | BENZAMIDE CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2015-10-22 | — | — | WO | disclosed |