Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.73 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.73 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.58 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 2/20 | 0.36 |
| ▸ | MAOB | P27338 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| Bromobenzene SCHEMBL28830047 | 1.00 | ALDH1A1 (0.73) | ALDH1A1TDP1MAPK1CYP2A6NPC1 | |
| Bromobenzene SCHEMBL27592660 | 0.97 | ALDH1A1 (0.69) | ALDH1A1TDP1MAPK1CYP2A6NPC1 | |
| Bromobenzene SCHEMBL9893634 | 0.97 | ALDH1A1 (0.69) | ALDH1A1TDP1MAPK1CYP2A6NPC1 | |
| Bromobenzene SCHEMBL260618 | 0.91 | ALDH1A1 (0.61) | ALDH1A1TDP1MAPK1CYP2A6NPC1 | |
| Bromobenzene SCHEMBL28540774 | 0.91 | ALDH1A1 (0.61) | ALDH1A1TDP1MAPK1CYP2A6NPC1 | |
| Bromobenzene SCHEMBL537562 | 0.86 | ALDH1A1 (1.00) | ALDH1A1TDP1MAPK1CYP2A6NPC1 | |
| Bromobenzene SCHEMBL1331176 | 0.86 | — | — | |
| Bromobenzene SCHEMBL20537325 | 0.86 | ALDH1A1 (1.00) | ALDH1A1TDP1MAPK1CYP2A6NPC1 | |
| Bromobenzene SCHEMBL2158200 | 0.86 | — | — | |
| Bromobenzene SCHEMBL1542 | 0.86 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113121318-B | Biheteroaromatic hydrocarbon compound and preparation method thereof | 浙江工业大学 | 2022-04-26 | — | — | CN | claimed |
| CN-118724934-A | Mechanochemical synthesis of alpha-haloalkylboron esters | 西安交通大学 | 2024-10-01 | — | — | CN | disclosed |
| CN-114981655-A | Detection of nicotine, cannabinoids and drugs of abuse on the surface of a vaping device and in a vaping liquid formulation | 韦里特克美国有限公司 | 2022-08-30 | — | — | CN | disclosed |
| CN-113121318-B | Biheteroaromatic hydrocarbon compound and preparation method thereof | 浙江工业大学 | 2022-04-26 | — | — | CN | disclosed |
| CN-113121318-A | Biheteroaromatic hydrocarbon compound and preparation method thereof | 浙江工业大学 | 2021-07-16 | — | — | CN | disclosed |
| US-8133549-B2 | Method for modifying insulating or semi-conductive surfaces, and resulting products | ALCHIMER (FR) | 2012-03-13 | — | — | US | disclosed |
| US-20090301862-A1 | METHOD FOR MODIFYING INSULATING OR SEMI-CONDUCTIVE SURFACES, AND RESULTING PRODUCTS | ALCHIMEDICS (FR) | 2009-12-10 | — | — | US | disclosed |