Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.53 |
| ▸ | TP53 | P04637 | 3/20 | 0.53 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.43 |
| ▸ | APP | P05067 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | KIF11 | P52732 | 1/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL4555821 | 0.94 | ALDH1A1 (0.53) | ALDH1A1CYP3A4TDP1TP53MEN1 | |
| SCHEMBL1176222 | 0.92 | ALDH1A1 (0.50) | ALDH1A1CYP3A4TDP1TP53MEN1 | |
| Benzidine SCHEMBL6734146 | 0.76 | ALDH1A1 (0.79) | ALDH1A1CYP3A4TDP1TP53MEN1 | |
| Benzidine SCHEMBL28396761 | 0.76 | ALDH1A1 (0.79) | ALDH1A1CYP3A4TDP1TP53MEN1 | |
| Benzidine SCHEMBL6666582 | 0.73 | ALDH1A1 (0.73) | ALDH1A1CYP3A4TDP1TP53MEN1 | |
| SCHEMBL6123327 | 0.72 | CYP3A4 (0.53) | ALDH1A1CYP3A4TDP1TP53MEN1 | |
| SCHEMBL353494 | 0.72 | MAPK14 (0.50) | HSD17B10NPC1RAB9AKDM4ECA1 | |
| SCHEMBL435618 | 0.72 | LMNA (0.44) | MAPTLMNANPC1RAB9AHPGD | |
| SCHEMBL2024128 | 0.71 | CYP3A4 (1.00) | ALDH1A1CYP3A4TDP1TP53MEN1 | |
| Benzidine SCHEMBL29021 | 0.71 | CYP3A4 (1.00) | ALDH1A1CYP3A4TDP1TP53MEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107074769-A | Compositions and methods for treating proliferative disorders | 艾科尔公司 | 2017-08-18 | — | — | CN | disclosed |
| EP-2723741-A2 | SUBSTITUTED IMIDAZOPYRIDINYL-AMINOPYRIDINE COMPOUNDS | ArQule, Inc. (US) | 2014-04-30 | — | — | EP | disclosed |
| WO-2012177844-A2 | SUBSTITUTED IMIDAZOPYRIDINYL-AMINOPYRIDINE COMPOUNDS | ARQULE, INC. (US) | 2012-12-27 | — | — | WO | disclosed |