Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYR | P14679 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | LIPG | Q9Y5X9 | 4/20 | 0.46 |
| ▸ | LPL | P06858 | 3/20 | 0.41 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.41 |
| ▸ | MGLL | Q99685 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.41 |
| ▸ | ESR1 | P03372 | 2/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.41 |
| ▸ | TACR2 | P21452 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL27241162 | 1.00 | TYR (0.48) | TYRTP53CYP3A4MEN1ALOX5 | |
| SCHEMBL5822562 | 0.98 | TYR (0.46) | TYRTP53CYP3A4MEN1ALOX5 | |
| SCHEMBL2813389 | 0.87 | TYR (0.42) | TYRTP53CYP3A4MEN1ALOX5 | |
| SCHEMBL2815176 | 0.87 | TYR (0.42) | TYRTP53CYP3A4MEN1ALOX5 | |
| SCHEMBL2814697 | 0.87 | TYR (0.42) | TYRTP53CYP3A4MEN1ALOX5 | |
| SCHEMBL9786653 | 0.86 | TYR (0.42) | TYRTP53CYP3A4MEN1ALOX5 | |
| SCHEMBL9786561 | 0.86 | TYR (0.42) | TYRTP53CYP3A4MEN1ALOX5 | |
| SCHEMBL9786608 | 0.86 | TYR (0.42) | TYRTP53CYP3A4MEN1ALOX5 | |
| SCHEMBL17135982 | 0.85 | MEN1 (0.47) | TYRTP53CYP3A4MEN1ALOX5 | |
| SCHEMBL4585477 | 0.85 | TYR (0.41) | TYRTP53CYP3A4MEN1ALOX5 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105111216-A | Thiophene polycyclic organic semiconductor material synthesis based on pyrene | BEIJING INST TECHNOLOGY | 2015-12-02 | — | — | CN | claimed |
| CN-105111216-A | Thiophene polycyclic organic semiconductor material synthesis based on pyrene | BEIJING INST TECHNOLOGY | 2015-12-02 | — | — | CN | disclosed |