Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP1A1 | P04798 | 7/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 7/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.35 |
| ▸ | NQO2 | P16083 | 5/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.34 |
| ▸ | ABL1 | P00519 | 3/20 | 0.34 |
| ▸ | BCR | P11274 | 3/20 | 0.34 |
| ▸ | ESR1 | P03372 | 2/20 | 0.34 |
| ▸ | TTR | P02766 | 2/20 | 0.34 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.34 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.34 |
| ▸ | TUBB | P07437 | 1/20 | 0.34 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.34 |
| ▸ | AHR | P35869 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL20156892 | 0.89 | PTPN1 (0.34) | ALDH1A1CYP1A1CYP1B1CA1CA2 | |
| SCHEMBL23819513 | 0.82 | ALDH1A1 (0.46) | ALDH1A1CYP1A1CYP1B1CA1CA2 | |
| SCHEMBL17129736 | 0.82 | ALDH1A1 (0.46) | ALDH1A1CYP1A1CYP1B1CA1CA2 | |
| SCHEMBL20156891 | 0.79 | ALDH1A1 (0.48) | ALDH1A1CYP1A1CYP1B1CA1CA2 | |
| SCHEMBL23202604 | 0.77 | ALDH1A1 (0.41) | ALDH1A1CYP1A1CYP1B1CA1CA2 | |
| SCHEMBL23819502 | 0.77 | ALDH1A1 (0.41) | ALDH1A1CYP1A1CYP1B1CA1CA2 | |
| SCHEMBL23202602 | 0.77 | ALDH1A1 (0.41) | ALDH1A1CYP1A1CYP1B1CA1CA2 | |
| SCHEMBL3276749 | 0.75 | ALDH1A1 (0.48) | ALDH1A1CYP1A1CYP1B1CA1CA2 | |
| SCHEMBL20140283 | 0.72 | AHR (0.39) | ALDH1A1CYP1A1CYP1B1PTGS2AHR | |
| SCHEMBL20156773 | 0.72 | AHR (0.39) | ALDH1A1CYP1A1CYP1B1PTGS2AHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018087767-A1 | PROCESS FOR THE PREPARATION OF HU-910 AND CRYSTALLINE STRUCTURE THEREOF | YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) | 2018-05-17 | — | — | WO | disclosed |