Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.45 |
| ▸ | GAA | P10253 | 4/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 4/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | P4HB | P07237 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11858775 | 0.86 | ALDH1A1 (0.45) | ALDH1A1GAAPKMTSHRLMNA | |
| SCHEMBL9498840 | 0.81 | CA2 (0.47) | ALDH1A1GAACA2TSHRRECQL | |
| SCHEMBL31263607 | 0.81 | CA2 (0.47) | ALDH1A1GAACA2TSHRRECQL | |
| Ethylene Glycol SCHEMBL6331832 | 0.80 | LMNA (0.51) | ALDH1A1GAAPKMTSHRLMNA | |
| SCHEMBL14326966 | 0.78 | POLB (0.47) | ALDH1A1GAAPKMCA2TSHR | |
| SCHEMBL31401069 | 0.78 | SMN1; SMN2 (0.52) | PKMTSHRHSD17B10RECQLKMT2A | |
| 1,3-Propanediol SCHEMBL8503984 | 0.77 | LMNA (0.49) | ALDH1A1GAAPKMTSHRLMNA | |
| 1,4-Butanediol SCHEMBL8980142 | 0.77 | LMNA (0.49) | ALDH1A1GAAPKMTSHRLMNA | |
| SCHEMBL20997498 | 0.77 | ELANE (0.43) | ALDH1A1CA2 | |
| SCHEMBL9378301 | 0.76 | GAA (0.43) | ALDH1A1GAAPKMTSHRLMNA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3271334-A1 | SUBSTITUTED N-BICYCLO-2-ARYL-QUINOLIN-4-CARBOXAMIDES AND USE THEREOF | Bayer Pharma Aktiengesellschaft (DE) | 2018-01-24 | — | — | EP | disclosed |
| WO-2017153235-A1 | SUBSTITUTED N-CYCLO-3-ARYL-1-NAPHTHAMIDES AND USE THEREOF | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2017-09-14 | — | — | WO | disclosed |
| WO-2016146602-A1 | SUBSTITUTED N-BICYCLO-2-ARYL-QUINOLIN-4-CARBOXAMIDES AND USE THEREOF | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2016-09-22 | — | — | WO | disclosed |
| EP-2188258-A1 | SUBSTITUTED NICOTINAMIDE COMPOUNDS AND THE USE THEREOF IN PHARMACEUTICAL PRODUCTS | Grünenthal GmbH (DE) | 2010-05-26 | — | — | EP | disclosed |
| WO-2009036938-A1 | SUBSTITUTED NICOTINAMIDE COMPOUNDS AND THE USE THEREOF IN PHARMACEUTICAL PRODUCTS | Grünenthal GmbH (DE) | 2009-03-26 | — | — | WO | disclosed |