Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 8/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL880697 | 0.84 | MAPK1 (0.59) | PTPN1MAPTCA1CA2ALDH1A1 | |
| SCHEMBL17502180 | 0.82 | SLC22A12 (0.43) | ALDH1A1KDM4ESMN1; SMN2L3MBTL1KCNQ3 | |
| Hydrochloric Acid SCHEMBL853571 | 0.82 | MAPK1 (0.57) | PTPN1MAPTCA1CA2ALDH1A1 | |
| SCHEMBL1169047 | 0.81 | PTPN1 (0.50) | PTPN1MAPTCA1CA2ALDH1A1 | |
| SCHEMBL25212412 | 0.80 | TDP1 (0.49) | MAPTCA1CA2ALDH1A1KMT2A | |
| SCHEMBL25267522 | 0.78 | MAPK1 (0.45) | MAPTCA1CA2ALDH1A1KMT2A | |
| SCHEMBL25216802 | 0.78 | NNMT (0.51) | PTPN1MAPTCA1CA2ALDH1A1 | |
| SCHEMBL25213750 | 0.78 | ALDH1A1 (0.51) | MAPTCA1CA2ALDH1A1KMT2A | |
| SCHEMBL6575703 | 0.78 | CA1 (0.61) | MAPTCA1CA2ALDH1A1KMT2A | |
| SCHEMBL25216660 | 0.78 | ALDH1A1 (0.50) | MAPTCA1CA2ALDH1A1KMT2A |
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-2016022626-A1 | HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2016-02-11 | — | — | WO | disclosed |