Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 8/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.55 |
| ▸ | HPGD | P15428 | 5/20 | 0.55 |
| ▸ | THRB | P10828 | 2/20 | 0.55 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.45 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.42 |
| ▸ | FYN | P06241 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | AHR | P35869 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 5/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | CASP1 | P29466 | 2/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 6/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2533864 | 0.97 | CYP1A2 (0.58) | CYP1A2ALDH1A1HSD17B10HPGDTHRB | |
| SCHEMBL4845687 | 0.97 | CYP1A2 (0.58) | CYP1A2ALDH1A1HSD17B10HPGDTHRB | |
| SCHEMBL5471846 | 0.97 | HSD17B10 (0.50) | CYP1A2ALDH1A1HSD17B10HPGDTHRB | |
| SCHEMBL5476671 | 0.97 | HSD17B10 (0.50) | CYP1A2ALDH1A1HSD17B10HPGDTHRB | |
| SCHEMBL5478700 | 0.97 | CYP1A2 (0.58) | CYP1A2ALDH1A1HSD17B10HPGDTHRB | |
| SCHEMBL5471214 | 0.97 | CYP1A2 (0.58) | CYP1A2ALDH1A1HSD17B10HPGDTHRB | |
| SCHEMBL1978995 | 0.97 | CYP1A2 (0.58) | CYP1A2ALDH1A1HSD17B10HPGDTHRB | |
| SCHEMBL5474056 | 0.91 | ALDH1A1 (0.48) | CYP1A2ALDH1A1HSD17B10HPGDTHRB | |
| SCHEMBL31177972 | 0.91 | ALDH1A1 (0.48) | CYP1A2ALDH1A1HSD17B10HPGDTHRB | |
| SCHEMBL5470389 | 0.91 | ALDH1A1 (0.48) | CYP1A2ALDH1A1HSD17B10HPGDTHRB |
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-8288497-B2 | Synthesis of poly-(P-aryleneethynylene)s in neat water under aerobic conditions | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2012-10-16 | — | — | US | disclosed |
| US-20110257356-A1 | Synthesis of Poly-(P-Aryleneethynylene)s in Neat Water Under Aerobic Conditions | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2011-10-20 | — | — | US | disclosed |
| US-20090326150-A1 | SYNTHESIS OF POLY-(P-ARYLENEETHYNYLENE)S IN NEAT WATER UNDER AEROBIC CONDIT | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2009-12-31 | — | — | US | disclosed |