Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | CES2 | O00748 | 3/20 | 0.43 |
| ▸ | CES1 | P23141 | 3/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.41 |
| ▸ | FFAR3 | O14843 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | CTSD | P07339 | 1/20 | 0.35 |
| ▸ | DGKA | P23743 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | BCL9 | O00512 | 1/20 | 0.33 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.33 |
| ▸ | MGAM | O43451 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | SI | P14410 | 1/20 | 0.32 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL19812445 | 0.83 | ALDH1A1 (0.57) | ALDH1A1CES2CES1HDAC3HDAC1 | |
| SCHEMBL891468 | 0.81 | — | — | |
| SCHEMBL8940902 | 0.79 | — | — | |
| SCHEMBL28209637 | 0.79 | — | — | |
| SCHEMBL30026304 | 0.79 | — | — | |
| SCHEMBL28284534 | 0.79 | — | — | |
| SCHEMBL2767905 | 0.77 | ALDH1A1 (0.41) | ALDH1A1FFAR3TSHRLMNAMGAM | |
| SCHEMBL25255265 | 0.75 | — | — | |
| SCHEMBL3181479 | 0.75 | ALDH1A1 (0.48) | ALDH1A1CES2CES1HDAC3HDAC1 | |
| SCHEMBL20595882 | 0.74 | ALDH1A1 (0.39) | ALDH1A1FFAR3TSHRMGAMGAA |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116983421-A | Adriamycin-fatty alcohol small molecule prodrug and construction of self-assembled nanoparticle thereof | 沈阳信达泰康医药科技有限公司 | 2023-11-03 | — | — | CN | disclosed |
| WO-2021117723-A1 | BLOCK COPOLYMER, RESIN COMPOSITION, STRETCH CONDUCTOR, ELECTRONIC DEVICE, AND PRESSURE-SENSITIVE ADHESIVE FILM | 東洋インキＳＣホールディングス株式会社 | 2021-06-17 | — | — | WO | disclosed |
| US-6310161-B1 | ACRYLATE WITH MONOTHIOL AND CONJUGATED AROMATIC COMPOUND | UCB S.A. (BE) | 2001-10-30 | — | — | US | disclosed |
| EP-0810992-B1 | SULFUR-CONTAINING COMPOUNDS FOR OPTICAL GRADE POLYMERIC CASTING COMPOSITIONS | UCB SA (BE) | 2001-06-13 | — | — | EP | disclosed |
| US-6051733-A | Sulfur-containing compounds for optical grade polymeric casting compositions | UCB, S.A. (BE) | 2000-04-18 | — | — | US | disclosed |
| EP-0810992-A1 | SULFUR-CONTAINING COMPOUNDS FOR OPTICAL GRADE POLYMERIC CASTING COMPOSITIONS | U C B, S.A. (BE) | 1997-12-10 | — | — | EP | disclosed |
| WO-1996026184-A1 | SULFUR-CONTAINING COMPOUNDS FOR OPTICAL GRADE POLYMERIC CASTING COMPOSITIONS | UCB, S.A. (BE) | 1996-08-29 | — | — | WO | disclosed |