Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TTR | P02766 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 2/20 | 0.36 |
| ▸ | CES1 | P23141 | 2/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28216438 | 0.80 | ALDH1A1 (0.42) | TTRCES2CES1GSK3BALDH1A1 | |
| SCHEMBL11818428 | 0.80 | APEX1 (0.41) | TTRGSK3BHDAC8ALDH1A1TSHR | |
| SCHEMBL21808117 | 0.80 | GPR35 (0.41) | TTRALDH1A1RAB9ATSHRHPGD | |
| SCHEMBL11731338 | 0.78 | TTR (0.39) | TTRGSK3BHDAC8ALDH1A1TSHR | |
| SCHEMBL4847370 | 0.78 | TTR (0.62) | TTRCES2CES1ALDH1A1ALOX15 | |
| SCHEMBL1191845 | 0.78 | TTR (0.62) | TTRALDH1A1ALOX15TSHRHPGD | |
| SCHEMBL26626630 | 0.77 | HDAC1 (0.48) | TTRCES2CES1HDAC8ALDH1A1 | |
| SCHEMBL11625987 | 0.77 | HDAC1 (0.48) | TTRCES2CES1GSK3B | |
| SCHEMBL30601660 | 0.77 | HDAC1 (0.48) | TTRCES2CES1HDAC8ALDH1A1 | |
| SCHEMBL24670816 | 0.76 | CES2 (0.41) | CES2CES1HDAC8ALDH1A1ALOX15 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111825677-A | Selective NK-3 receptor antagonist and preparation and application thereof | 明慧医药（杭州）有限公司 | 2020-10-27 | — | — | CN | disclosed |
| US-7875631-B2 | e.g.1-(3,5-dichlorophenyl)-2-formyl-6-methoxy-1,2,3,4-tetrahydroisoquinoline; to prevent and/or treat cancer and other abnormal cell growth, and metabolic as well as blood vessel proliferate disorders, in which uncontrolled expression of insulin-like growth factor-1 receptor is observed | ANALYTECON S.A. (CH) | 2011-01-25 | — | — | US | disclosed |