Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 5/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.42 |
| ▸ | LPAR2 | Q9HBW0 | 3/20 | 0.42 |
| ▸ | LPAR3 | Q9UBY5 | 3/20 | 0.42 |
| ▸ | NAAA | Q02083 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | RAD52 | P43351 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8465669 | 0.80 | ALDH1A1 (0.54) | ALDH1A1ATMTSHRHPGDHCAR2 | |
| Butane SCHEMBL2239751 | 0.78 | ALDH1A1 (0.52) | ALDH1A1ATMTSHRHPGDHCAR2 | |
| SCHEMBL28783278 | 0.75 | CYP3A4 (0.50) | ALDH1A1ATMTSHRHPGDHCAR2 | |
| SCHEMBL2073921 | 0.74 | — | — | |
| SCHEMBL6739566 | 0.72 | LPAR3 (0.55) | ALDH1A1TSHRHCAR2LPAR2LPAR3 | |
| Butyl Dimethoxyphosphinecarboxylate Oxide SCHEMBL2240121 | 0.72 | ALDH1A1 (0.50) | ALDH1A1ATMTSHRHPGDHCAR2 | |
| SCHEMBL6733974 | 0.72 | LPAR3 (0.55) | ALDH1A1TSHRHCAR2LPAR2LPAR3 | |
| SCHEMBL1408929 | 0.72 | ALDH1A1 (0.50) | ALDH1A1ATMTSHRHPGDHCAR2 | |
| Disodium Butoxycarbonylphosphonate SCHEMBL11147279 | 0.72 | ALDH1A1 (0.50) | ALDH1A1ATMTSHRHPGDHCAR2 | |
| SCHEMBL6734330 | 0.72 | LPAR3 (0.55) | ALDH1A1TSHRHCAR2LPAR2LPAR3 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0792275-B1 | IMPROVED ANTIVIRAL PRODRUGS | UNIV CALIFORNIA (US) | 2004-03-03 | — | — | EP | disclosed |
| US-6002029-A | Antiviral prodrugs | CHIMERIX, INC. | 1999-12-14 | — | — | US | disclosed |
| EP-0792275-A4 | IMPROVED ANTIVIRAL PRODRUGS | UNIV CALIFORNIA (US) | 1998-02-25 | — | — | EP | disclosed |
| US-5696277-A | CYTOMEGALOVIRUS, HERPES VIRUS | Hostetler, Karl Y. (US) | 1997-12-09 | — | — | US | disclosed |
| EP-0792275-A1 | IMPROVED ANTIVIRAL PRODRUGS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1997-09-03 | — | — | EP | disclosed |
| WO-1996015132-A1 | IMPROVED ANTIVIRAL PRODRUGS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1996-05-23 | — | — | WO | disclosed |