Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.38 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 4/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | HTR7 | P34969 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL23966962 | 0.86 | MCL1 (0.40) | ALDH1A1CYP3A4TSHRMCL1TDP1 | |
| SCHEMBL20344255 | 0.83 | HDAC1 (0.41) | ALDH1A1CYP3A4TSHRHSD17B10TDP1 | |
| SCHEMBL3084322 | 0.80 | ALDH1A1 (0.55) | ALDH1A1CYP3A4TSHRMCL1TDP1 | |
| SCHEMBL29702110 | 0.80 | ALDH1A1 (0.55) | ALDH1A1CYP3A4TSHRMCL1TDP1 | |
| Water SCHEMBL9222873 | 0.77 | ALDH1A1 (0.52) | ALDH1A1CYP3A4TSHRMCL1TDP1 | |
| SCHEMBL5390940 | 0.77 | ALDH1A1 (0.52) | ALDH1A1CYP3A4TSHRMCL1TDP1 | |
| Lithium SCHEMBL30110458 | 0.77 | ALDH1A1 (0.60) | ALDH1A1CYP3A4TSHRMCL1TDP1 | |
| SCHEMBL12736357 | 0.77 | ESR1 (0.45) | ALDH1A1CYP3A4TSHRHSD17B10TAS1R3 | |
| SCHEMBL13906299 | 0.77 | KIF11 (0.48) | ALDH1A1HSD17B10NPC1RAB9APTGS2 | |
| SCHEMBL21709538 | 0.75 | ALDH1A1 (0.50) | ALDH1A1CYP3A4TSHRMCL1TDP1 |
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-20120129076-A1 | Novel Sulfonic Acid Group-Containing Segmented Block Copolymer and Use Thereof | TOYO BOSEKI KABUSHIKI KAISHA (JP) | 2012-05-24 | — | — | US | disclosed |