Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 7/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 10/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.47 |
| ▸ | MAOA | P21397 | 2/20 | 0.47 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.47 |
| ▸ | FYN | P06241 | 1/20 | 0.47 |
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
| ▸ | AHR | P35869 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 7/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.44 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.44 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Phenanthrene SCHEMBL21219119 | 0.92 | TSHR (0.57) | TSHRCYP3A4ALDH1A1HSD17B10CYP2A6 | |
| Pyrene SCHEMBL2125072 | 0.92 | TSHR (0.65) | TSHRCYP3A4ALDH1A1HSD17B10CYP1A2 | |
| Pyrene SCHEMBL1133715 | 0.91 | CYP1A2 (0.49) | TSHRCYP3A4ALDH1A1HSD17B10CYP2A6 | |
| Benzo[E]Pyrene SCHEMBL28074705 | 0.88 | ALDH1A1 (0.64) | TSHRCYP3A4ALDH1A1HSD17B10CYP1A2 | |
| Fluorene SCHEMBL7752293 | 0.88 | TSHR (0.54) | TSHRCYP3A4ALDH1A1HSD17B10CYP1A2 | |
| Fluorene SCHEMBL28556215 | 0.88 | TSHR (0.54) | TSHRCYP3A4ALDH1A1HSD17B10CYP1A2 | |
| Fluorene SCHEMBL28714196 | 0.85 | MAOA (0.48) | TSHRCYP3A4ALDH1A1HSD17B10CYP2A6 | |
| Phenanthrene SCHEMBL5161188 | 0.84 | TSHR (0.48) | TSHRCYP3A4ALDH1A1HSD17B10CYP2A6 | |
| Fluorene SCHEMBL28064647 | 0.83 | TSHR (0.56) | TSHRCYP3A4ALDH1A1HSD17B10CYP1A2 | |
| SCHEMBL29573523 | 0.81 | TSHR (0.62) | TSHRCYP3A4ALDH1A1HSD17B10CYP1A2 |
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-2006042187-A2 | SIMULTANEOUS SEQUENCE ANALYSIS OF AMINO- AND CARBOXY- TERMINI | UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) | 2006-04-20 | — | — | WO | disclosed |