Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | HPRT1 | P00492 | 3/20 | 0.44 |
| ▸ | 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 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11665040 | 0.82 | CYP1A2 (0.54) | CYP1A2ALDH1A1HSD17B10HPGDTHRB | |
| SCHEMBL30692103 | 0.81 | CYP1A2 (0.50) | CYP1A2ALDH1A1CYP2C9CYP2C19MAPT | |
| SCHEMBL615615 | 0.81 | CYP1A2 (0.50) | CYP1A2ALDH1A1CYP2C9CYP2C19MAPT | |
| SCHEMBL28377815 | 0.74 | ALDH1A1 (0.43) | CYP1A2ALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL27540960 | 0.74 | HPRT1 (0.47) | CYP1A2ALDH1A1HSD17B10HPGDHPRT1 | |
| SCHEMBL11739522 | 0.73 | TSHR (0.47) | CYP1A2ALDH1A1HSD17B10HPGDHPRT1 | |
| SCHEMBL29578620 | 0.73 | HSD17B10 (0.76) | CYP1A2ALDH1A1HSD17B10HPGDTHRB | |
| SCHEMBL4854359 | 0.73 | HSD17B10 (0.76) | CYP1A2ALDH1A1HSD17B10HPGDTHRB | |
| Benzo[E]Pyrene SCHEMBL9998154 | 0.73 | HSD17B10 (0.84) | CYP1A2ALDH1A1HSD17B10HPGDTHRB | |
| Chrysene SCHEMBL18546560 | 0.73 | HSD17B10 (0.75) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009131692-A1 | SUBSTRATES FOR DELIVERY OF PHYSIOLOGICALLY ACTIVE AGENTS | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) | 2009-10-29 | — | — | WO | claimed |