Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 4/20 | 0.33 |
| ▸ | CDK5 | Q00535 | 3/20 | 0.33 |
| ▸ | CDK5R1 | Q15078 | 3/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.33 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | GSK3A | P49840 | 1/20 | 0.32 |
| ▸ | GSK3B | P49841 | 1/20 | 0.32 |
| ▸ | KAT2B | Q92831 | 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 | |
|---|---|---|---|---|
| Diethanolamine SCHEMBL3045475 | 0.92 | KMT2A (0.37) | KMT2AMAPTCDK5CDK5R1PKM | |
| SCHEMBL1436652 | 0.90 | TSHR (0.41) | ALDH1A1TDP1TSHRGPR35KMT2A | |
| Diethanolamine SCHEMBL3256888 | 0.82 | KMT2A (0.39) | ALDH1A1TSHRKMT2AMAPTCDK5 | |
| SCHEMBL28225017 | 0.80 | ALDH1A1 (0.41) | ALDH1A1TDP1TSHRGPR35KMT2A | |
| Nitric Acid SCHEMBL28557915 | 0.80 | ALDH1A1 (0.37) | ALDH1A1TDP1TSHRCA2MAPT | |
| SCHEMBL7263052 | 0.79 | PTGER1 (0.41) | KEAP1 | |
| SCHEMBL27957680 | 0.79 | TSHR (0.44) | ALDH1A1TSHRKMT2AMAPTMEN1 | |
| SCHEMBL4303717 | 0.79 | ALDH1A1 (0.34) | ALDH1A1TDP1TSHRGPR35KMT2A | |
| SCHEMBL6278461 | 0.79 | TDP1 (0.42) | ALDH1A1TDP1TSHRGPR35KMT2A | |
| SCHEMBL9820308 | 0.77 | ALDH1A1 (0.46) | ALDH1A1TDP1TSHRGPR35KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0303826-B1 | SUBSTITUTED 2-NITRO METAPHENYLENE DIAMINES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN DYEING KERATINOUS FIBRES AND ESPECIALLY HUMAN HAIR | L'OREAL (FR) | 1991-02-27 | — | — | EP | claimed |