Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LPL | P06858 | 4/20 | 0.55 |
| ▸ | LIPG | Q9Y5X9 | 4/20 | 0.55 |
| ▸ | HTR2A | P28223 | 2/20 | 0.54 |
| ▸ | ESR1 | P03372 | 2/20 | 0.53 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.53 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.53 |
| ▸ | TACR2 | P21452 | 2/20 | 0.53 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.53 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.53 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | SHBG | P04278 | 1/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.53 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.53 |
| ▸ | HTR2C | P28335 | 1/20 | 0.53 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| Fluorobenzene SCHEMBL27881047 | 0.96 | KCNH2 (0.58) | LPLLIPGHTR2AESR1ADRA2A | |
| Fluorobenzene SCHEMBL28265021 | 0.94 | KCNH2 (0.61) | LPLLIPGHTR2AESR1ADRA2A | |
| Butylbenzyl SCHEMBL7935812 | 0.89 | KCNH2 (0.50) | ADRA2ASLC6A2SLC6A4SLC6A3ALDH1A1 | |
| SCHEMBL1430472 | 0.89 | ALDH1A1 (0.59) | LPLLIPGHTR2AESR1ADRA2A | |
| SCHEMBL9717309 | 0.87 | ESR1 (0.63) | LPLLIPGHTR2AESR1ADRA2A | |
| SCHEMBL13564082 | 0.87 | ESR1 (0.63) | LPLLIPGHTR2AESR1ADRA2A | |
| SCHEMBL2615718 | 0.87 | ESR1 (0.63) | LPLLIPGHTR2AESR1ADRA2A | |
| SCHEMBL2615717 | 0.87 | ESR1 (0.63) | LPLLIPGHTR2AESR1ADRA2A | |
| SCHEMBL3941872 | 0.87 | ESR1 (0.63) | LPLLIPGHTR2AESR1ADRA2A | |
| SCHEMBL27362553 | 0.87 | ESR1 (0.63) | LPLLIPGHTR2AESR1ADRA2A |
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-106589349-B | Bi-phthalonitrile resin of main chain s-triazine structure containing triaryl and preparation method thereof | 大连理工大学 | 2019-01-08 | — | — | CN | claimed |
| CN-107201034-B | A kind of anti-reflection polymer composite film and preparation method thereof with elemental oxygen degradation resistant | 中国科学院宁波材料技术与工程研究所 | 2019-10-18 | — | — | CN | disclosed |