Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.39 |
| ▸ | DHFR | P00374 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11314251 | 0.80 | DHFR (0.41) | NQO1DHFRKDM4EMAPTESR2 | |
| SCHEMBL10998181 | 0.75 | NQO1 (0.46) | NQO1DHFRKDM4EMAPTESR2 | |
| SCHEMBL11317840 | 0.73 | ALDH1A1 (0.49) | NQO1DHFRKDM4EMAPTESR2 | |
| SCHEMBL11342978 | 0.72 | KDM4E (0.46) | NQO1DHFRKDM4EMAPTESR2 | |
| SCHEMBL11314245 | 0.71 | EPHX1 (0.46) | KDM4EATML3MBTL1ALDH1A1SMN1; SMN2 | |
| SCHEMBL11310224 | 0.71 | DHFR (0.43) | NQO1DHFRKDM4EMAPTALDH1A1 | |
| SCHEMBL18929969 | 0.71 | NQO1 (0.50) | NQO1KDM4EMAPTESR2HSD17B10 | |
| SCHEMBL11406600 | 0.70 | KDM4E (0.38) | NQO1DHFRKDM4EMAPTESR2 | |
| SCHEMBL11317842 | 0.70 | DHFR (0.45) | NQO1DHFRKDM4EMAPTESR2 | |
| SCHEMBL29657372 | 0.69 | NQO1 (0.59) | NQO1KDM4EMAPTESR2HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| US-4268439-A | Basic azo dyestuffs having benzylammoniumamine substituent in the coupling component | BAYER AKTIENGESELLSCHAFT (DE) | 1981-05-19 | — | — | US | disclosed |
| US-4233214-A | FOR POLYACRYLONITRILE AND ACID-MODIFIED POLYESTERS OR POLYAMIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1980-11-11 | — | — | US | disclosed |
| US-4036826-A | Cationic azo dyestuffs with a hydroxyalkylated ammonium group | BAYER AKTIENGESELLSCHAFT (DT) | 1977-07-19 | — | — | US | disclosed |