Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.53 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 2/20 | 0.53 |
| ▸ | RAB9A | P51151 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.51 |
| ▸ | APEX1 | P27695 | 1/20 | 0.51 |
| ▸ | RECQL | P46063 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | APP | P05067 | 1/20 | 0.49 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL24383957 | 0.94 | ESR1 (0.59) | ESR1ESR2NPC1RAB9AMEN1 | |
| SCHEMBL27813299 | 0.86 | ESR1 (0.76) | ESR1ESR2NPC1RAB9AMEN1 | |
| SCHEMBL28131041 | 0.82 | LTA4H (0.61) | NPC1RAB9AMEN1EPHX2KMT2A | |
| SCHEMBL18798722 | 0.82 | MAPT (0.46) | ESR1ESR2NPC1RAB9AMEN1 | |
| SCHEMBL20802198 | 0.82 | LMNA (0.42) | ESR1ESR2NPC1RAB9AMEN1 | |
| SCHEMBL3665016 | 0.82 | MAPT (0.64) | NPC1RAB9AMEN1EPHX2KMT2A | |
| SCHEMBL78643 | 0.82 | MAPT (0.64) | NPC1RAB9AMEN1EPHX2KMT2A | |
| Fluoride SCHEMBL31538992 | 0.80 | MAPT (0.62) | NPC1RAB9AMEN1EPHX2KMT2A | |
| SCHEMBL1838828 | 0.79 | CALM1 (0.61) | ESR1ESR2NPC1RAB9AMEN1 | |
| SCHEMBL27597201 | 0.79 | KCNH2 (0.58) | NPC1RAB9AMEN1EPHX2KMT2A |
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-9914723-B2 | Small molecule inhibitors of Mcl-1 and uses thereof | THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) | 2018-03-13 | — | — | US | disclosed |