Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 8/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | GBA1 | P04062 | 1/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.38 |
| ▸ | HGFAC | Q04756 | 1/20 | 0.37 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.37 |
| ▸ | RHEB | Q15382 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | CETP | P11597 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL91782 | 0.84 | KMT2A (0.41) | KMT2AESR1GBA1HGFACMEN1 | |
| SCHEMBL91709 | 0.80 | LMNA (0.38) | KMT2AESR1NOTUMRHEBMEN1 | |
| SCHEMBL91750 | 0.79 | KMT2A (0.39) | KMT2AESR1GBA1HGFACMEN1 | |
| SCHEMBL91726 | 0.78 | KMT2A (0.36) | KMT2AESR1GBA1HGFACMEN1 | |
| SCHEMBL91700 | 0.78 | S1PR1 (0.43) | NOTUMAR | |
| SCHEMBL91725 | 0.76 | NR1H4 (0.35) | KMT2AESR1GBA1NOTUMHGFAC | |
| SCHEMBL91724 | 0.76 | AR (0.37) | NOTUMRHEBCETPMAPTAR | |
| SCHEMBL91819 | 0.74 | MAPT (0.37) | KMT2ANR1H4MEN1NPC1MAPT | |
| SCHEMBL14075270 | 0.72 | RXRA (0.40) | ESR1NPC1RAB9AKDM4E | |
| SCHEMBL91751 | 0.72 | KMT2A (0.35) | KMT2AESR1GBA1HGFACNR1H4 |
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 |
|---|---|---|---|---|---|---|---|
| US-8129002-B2 | Compounds for use in liquid crystal media | MERCK PATENT GMBH (DE) | 2012-03-06 | — | — | US | disclosed |