Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | CES2 | O00748 | 2/20 | 0.33 |
| ▸ | CES1 | P23141 | 2/20 | 0.33 |
| ▸ | MAOA | P21397 | 2/20 | 0.33 |
| ▸ | MAOB | P27338 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | SSTR3 | P32745 | 1/20 | 0.33 |
| ▸ | HSD17B14 | Q9BPX1 | 1/20 | 0.33 |
| ▸ | AHR | P35869 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL12520344 | 0.79 | CYP1A2 (0.46) | CYP1A2CYP2A6CES2CES1POLB | |
| SCHEMBL7905175 | 0.78 | CES2 (0.56) | CYP1A2CYP2A6CES2CES1HSD17B14 | |
| SCHEMBL27468936 | 0.77 | CES2 (0.48) | CES2CES1MAOAMAOB | |
| SCHEMBL22991635 | 0.75 | CES2 (0.33) | CES2CES1KDM4EMEN1ALDH1A1 | |
| SCHEMBL11722596 | 0.75 | CYP1A2 (0.42) | CYP1A2CYP2A6CES2CES1POLB | |
| SCHEMBL27864984 | 0.74 | CES2 (0.56) | CES2CES1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL6562601 | 0.74 | CYP1A2 (0.77) | CYP1A2CYP2A6BACE1CES2CES1 | |
| SCHEMBL30366405 | 0.74 | CYP1A2 (0.77) | CYP1A2CYP2A6BACE1CES2CES1 | |
| SCHEMBL23474618 | 0.73 | CYP2A6 (0.45) | CYP1A2CYP2A6BACE1CES2CES1 | |
| SCHEMBL1769969 | 0.73 | KDM4E (0.47) | CYP1A2CYP2A6KDM4EMEN1ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017192304-A1 | ARYLCARBOXAMIDES AND USES THEREOF | INCEPTION 1, INC. (US) | 2017-11-09 | — | — | WO | disclosed |
| WO-2011061168-A1 | ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS | NOVARTIS AG (CH) | 2011-05-26 | — | — | WO | disclosed |