Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 3/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 5/20 | 0.44 |
| ▸ | RAB9A | P51151 | 5/20 | 0.44 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | DHODH | Q02127 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3129139 | 0.81 | KMT2A (0.51) | HTTKMT2AALDH1A1KDM4EL3MBTL1 | |
| SCHEMBL14576189 | 0.81 | DHODH (0.69) | HTTKMT2AALDH1A1L3MBTL1GAA | |
| SCHEMBL8604699 | 0.81 | DHODH (0.64) | HTTKMT2AALDH1A1KDM4EL3MBTL1 | |
| SCHEMBL13789621 | 0.81 | DHODH (0.55) | HTTKMT2AALDH1A1KDM4EHPGD | |
| SCHEMBL27523807 | 0.80 | ALDH1A1 (0.47) | HTTKMT2AALDH1A1KDM4EHPGD | |
| SCHEMBL3364009 | 0.80 | MME (0.52) | HTTKMT2AALDH1A1KDM4EHPGD | |
| SCHEMBL2632669 | 0.78 | P2RX7 (0.61) | HTTALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL1558713 | 0.75 | RAB9A (0.70) | HTTKMT2AALDH1A1KDM4EHPGD | |
| SCHEMBL28018732 | 0.75 | GRM5 (0.52) | HTTKMT2AALDH1A1KDM4EHPGD | |
| SCHEMBL12991853 | 0.75 | BDKRB1 (0.57) | HTTKMT2AALDH1A1KDM4EHPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-2013213-B1 | CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS | BRISTOL MYERS SQUIBB CO (US) | 2011-07-27 | — | — | EP | disclosed |