Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 4/20 | 0.37 |
| ▸ | NQO1 | P15559 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | TP53 | P04637 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.36 |
| ▸ | HBB | P68871 | 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 | |
|---|---|---|---|---|
| SCHEMBL11317840 | 0.77 | ALDH1A1 (0.49) | DHFRTSHRNQO1KDM4EMAPT | |
| SCHEMBL10998181 | 0.73 | NQO1 (0.46) | DHFRTSHRNQO1KDM4EMEN1 | |
| SCHEMBL11314251 | 0.72 | DHFR (0.41) | DHFRTSHRNQO1KDM4EMEN1 | |
| SCHEMBL11342978 | 0.70 | KDM4E (0.46) | DHFRTSHRNQO1KDM4EMEN1 | |
| SCHEMBL11317835 | 0.70 | NQO1 (0.39) | DHFRTSHRNQO1KDM4EMEN1 | |
| SCHEMBL11310224 | 0.69 | DHFR (0.43) | DHFRTSHRNQO1KDM4EMEN1 | |
| SCHEMBL29657372 | 0.67 | NQO1 (0.59) | TSHRNQO1KDM4EMEN1KMT2A | |
| SCHEMBL2498271 | 0.67 | NQO1 (0.59) | TSHRNQO1KDM4EMEN1KMT2A | |
| SCHEMBL278535 | 0.67 | NQO1 (0.48) | TSHRNQO1KDM4EMEN1KMT2A | |
| SCHEMBL113307 | 0.67 | NPC1 (0.58) | TSHRNQO1KDM4EMEN1KMT2A |
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 1 patent. 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 |