Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | HCAR2 | Q8TDS4 | 3/20 | 0.40 |
| ▸ | NAAA | Q02083 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 4/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7464388 | 0.98 | ALDH1A1 (0.41) | ALDH1A1ATMHCAR2NAAATSHR | |
| SCHEMBL14976683 | 0.84 | ALDH1A1 (0.47) | ALDH1A1ATMHCAR2NAAATSHR | |
| SCHEMBL3059935 | 0.81 | ALDH1A1 (0.44) | ALDH1A1ATMHCAR2NAAATSHR | |
| SCHEMBL1759122 | 0.81 | ALDH1A1 (0.44) | ALDH1A1ATMHCAR2NAAATSHR | |
| SCHEMBL1515668 | 0.79 | ALDH1A1 (0.42) | ALDH1A1ATMHCAR2NAAATSHR | |
| SCHEMBL4775623 | 0.78 | ALDH1A1 (0.38) | ALDH1A1ATMHCAR2NAAATSHR | |
| SCHEMBL2025411 | 0.76 | ALDH1A1 (0.39) | ALDH1A1ATMHCAR2NAAATSHR | |
| SCHEMBL7772397 | 0.75 | ALDH1A1 (0.54) | ALDH1A1ATMHCAR2NAAATSHR | |
| SCHEMBL30532490 | 0.74 | ALDH1A1 (0.48) | ALDH1A1ATMHCAR2NAAATSHR | |
| SCHEMBL288939 | 0.74 | ALDH1A1 (0.52) | ALDH1A1ATMHCAR2NAAATSHR |
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-2003037346-A1 | 6-PHENYL-N-PHENYL-(1,3,5) -TRIAZINE-2,4-DIAMINE DERIVATIVES AND RELATED COMPOUNDS WITH LYSOPHPHOSPHATIDIC ACID ACYLTRANSFERASE BETA (LPAAT-BETA) INHIBITORY ACTIVITY FOR USE IN THE TREATMENT OF CANCER | CELL THERAPEUTICS, INC. (US) | 2003-05-08 | — | — | WO | disclosed |