Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.44 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 5/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.38 |
| ▸ | CHRNA10 | Q9GZZ6 | 1/20 | 0.38 |
| ▸ | CHRNA9 | Q9UGM1 | 1/20 | 0.38 |
| ▸ | NOS3 | P29474 | 4/20 | 0.38 |
| ▸ | NOS1 | P29475 | 4/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Formamide SCHEMBL27548297 | 0.87 | ALDH1A1 (0.42) | ALDH1A1TDP1TSHRCYP1A1CYP1B1 | |
| SCHEMBL27977724 | 0.80 | ALDH1A1 (0.50) | ALDH1A1TDP1TSHRCYP1A1CYP1B1 | |
| SCHEMBL12198798 | 0.80 | ALDH1A1 (0.50) | ALDH1A1TDP1TSHRCYP1A1CYP1B1 | |
| Azobenzene SCHEMBL15261802 | 0.78 | ALDH1A1 (0.71) | ALDH1A1TDP1TSHRCYP1A1CYP1B1 | |
| SCHEMBL3547143 | 0.78 | ALDH1A1 (0.61) | ALDH1A1TDP1TSHRCYP1A1CYP1B1 | |
| SCHEMBL10216090 | 0.77 | NPC1 (0.43) | ALDH1A1TDP1MAPK1MAPTKMT2A | |
| SCHEMBL11881811 | 0.77 | ALDH1A1 (0.46) | ALDH1A1TDP1TSHRCYP1A1CYP1B1 | |
| SCHEMBL11881818 | 0.77 | ALDH1A1 (0.46) | ALDH1A1TDP1TSHRCYP1A1CYP1B1 | |
| Azobenzene SCHEMBL27839005 | 0.76 | ALDH1A1 (0.67) | ALDH1A1TDP1TSHRMAPK1HSD17B10 | |
| SCHEMBL3432777 | 0.75 | ALDH1A1 (0.44) | ALDH1A1TDP1TSHRCYP1A1CYP1B1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101679227-B | Pesticidal diazene oxide carboxylates | CHEMTURA CORP | 2013-06-19 | — | — | CN | disclosed |
| CN-101679227-A | Pesticidal diazene oxide carboxylates | CHEMTURA CORP | 2010-03-24 | — | — | CN | disclosed |
| US-7572301-B2 | Fibre-reactive dyes, their preparation and their use | HUNTSMAN INTERNATIONAL LLC (US) | 2009-08-11 | — | — | US | disclosed |
| US-20080250575-A1 | Fibre-Reactive Dyes, Their Preparation And Their Use | HUNTSMAN INTERNATIONAL LLC | 2008-10-16 | — | — | US | disclosed |