Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.54 |
| ▸ | RAB9A | P51151 | 2/20 | 0.54 |
| ▸ | CASP3 | P42574 | 2/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.54 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.54 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.54 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.54 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.51 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.50 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.50 |
| ▸ | NR4A2 | P43354 | 3/20 | 0.49 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.49 |
| ▸ | CASP7 | P55210 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL29580879 | 1.00 | NPC1 (0.54) | NPC1RAB9ACASP3TDP1SENP8 | |
| SCHEMBL28128458 | 0.90 | GPR52 (0.58) | NPC1RAB9ACASP3TDP1SENP8 | |
| SCHEMBL29579853 | 0.90 | GPR52 (0.58) | NPC1RAB9ACASP3TDP1SENP8 | |
| SCHEMBL11443407 | 0.87 | DPP4 (0.53) | NPC1RAB9ACASP3TDP1FFAR1 | |
| SCHEMBL570730 | 0.83 | MAPT (0.51) | NPC1RAB9AGPR52NR4A2L3MBTL1 | |
| SCHEMBL334758 | 0.82 | FFAR1 (0.68) | CASP3FFAR1TAAR1CASP7 | |
| SCHEMBL30572 | 0.82 | TDP1 (0.77) | NPC1RAB9ACASP3TDP1SENP8 | |
| SCHEMBL15524969 | 0.82 | TDP1 (0.77) | NPC1RAB9ACASP3TDP1SENP8 | |
| SCHEMBL28251466 | 0.82 | TDP1 (0.77) | NPC1RAB9ACASP3TDP1SENP8 | |
| SCHEMBL8008357 | 0.81 | NPC1 (0.56) | NPC1RAB9ACASP3TDP1SENP8 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111499503-B | Method for synthesizing alpha-alkylated ketone in water | 南京理工大学 | 2022-04-08 | — | — | CN | disclosed |
| CN-114288294-A | Compounds and methods for treating or preventing hematologic cancers | 布罗德研究所股份有限公司 | 2022-04-08 | — | — | CN | disclosed |
| CN-111499503-A | Method for synthesizing α -alkylated ketone in water | 南京理工大学 | 2020-08-07 | — | — | CN | disclosed |
| US-5032597-A | Antitumor | DU PONT MERCK PHARMACEUTICAL (US) | 1991-07-16 | — | — | US | disclosed |
| EP-0133244-B1 | PHENYLQUINOLINECARBOXYLIC ACIDS AND DERIVATIVES AS ANTITUMOR AGENTS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1990-12-05 | — | — | EP | disclosed |
| EP-0133244-A2 | Phenylquinolinecarboxylic acids and derivatives as antitumor agents | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1985-02-20 | — | — | EP | disclosed |