Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.51 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 4/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | CASP3 | P42574 | 1/20 | 0.47 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.47 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.47 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | JMJD6 | Q6NYC1 | 1/20 | 0.44 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6865219 | 0.81 | TDP1 (0.54) | ALDH1A1TDP1KMT2ASLC6A2SLC6A3 | |
| SCHEMBL2888240 | 0.80 | TSHR (0.55) | ALDH1A1TSHRL3MBTL1MAPK1LMNA | |
| SCHEMBL2237686 | 0.79 | ALDH1A1 (0.49) | ALDH1A1TDP1KMT2ASLC6A2SLC6A3 | |
| SCHEMBL19503199 | 0.78 | ALDH1A1 (0.51) | ALDH1A1TDP1KMT2ASLC6A2SLC6A3 | |
| SCHEMBL7422423 | 0.77 | ALDH1A1 (0.54) | ALDH1A1TDP1KMT2ASLC6A2SLC6A3 | |
| SCHEMBL19928034 | 0.76 | MAPT (0.57) | ALDH1A1TDP1KMT2ASLC6A2SLC6A3 | |
| SCHEMBL50441 | 0.76 | ALDH1A1 (0.89) | ALDH1A1TDP1KMT2ASLC6A2SLC6A3 | |
| SCHEMBL29388715 | 0.76 | ALDH1A1 (0.89) | ALDH1A1TDP1KMT2ASLC6A2SLC6A3 | |
| SCHEMBL29353285 | 0.76 | ALDH1A1 (0.69) | ALDH1A1TDP1KMT2ASLC6A2SLC6A3 | |
| SCHEMBL2705753 | 0.76 | ALDH1A1 (0.69) | ALDH1A1TDP1KMT2ASLC6A2SLC6A3 |
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-2022200444-A1 | NEW PROCESS FOR THE SYNTHESIS OF 5-{5-CHLORO-2-[(3N)-3- [(MORPHOLIN-4-YL)METHYL]-3,4-DIHYDROISOQUINOLINE-2(1H)- CARBONYL]PHENYL}-1,2-DIMETHYL-1H-PYRROLE-3-CARBOXYLIC ACID DERIVATIVES AND ITS APPLICATION FOR THE PRODUCTION OF PHARMACEUTICAL COMPOUNDS | LES LABORATOIRES SERVIER (FR) | 2022-09-29 | — | — | WO | disclosed |