Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNN4 | O15554 | 6/20 | 0.52 |
| ▸ | PARP1 | P09874 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | BLM | P54132 | 2/20 | 0.46 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | NOS3 | P29474 | 3/20 | 0.44 |
| ▸ | NOS1 | P29475 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | KCNE1 | P15382 | 1/20 | 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 | |
|---|---|---|---|---|
| Fluorobenzene SCHEMBL27399872 | 0.89 | KCNN4 (0.56) | KCNN4PARP1MAPTBLMPMP22 | |
| Fluorobenzene SCHEMBL10885260 | 0.89 | KCNN4 (0.56) | KCNN4PARP1MAPTBLMPMP22 | |
| Fluorobenzene SCHEMBL7243186 | 0.89 | CES2 (0.46) | KCNN4MAPTTSHRHSD17B10L3MBTL1 | |
| Fluorobenzene SCHEMBL5606691 | 0.89 | CES2 (0.46) | KCNN4MAPTCYP3A4TSHRHSD17B10 | |
| Fluorobenzene SCHEMBL27509339 | 0.88 | NQO2 (0.49) | KCNN4PARP1MAPTBLMPMP22 | |
| Fluorobenzene SCHEMBL28283283 | 0.86 | CES2 (0.44) | KCNN4MAPTHSD17B10L3MBTL1NPC1 | |
| Fluorobenzene SCHEMBL27503864 | 0.86 | CES2 (0.44) | KCNN4MAPTCYP3A4TSHRHSD17B10 | |
| Fluorobenzene SCHEMBL28873630 | 0.86 | CES2 (0.44) | KCNN4MAPTCYP3A4TSHRHSD17B10 | |
| Fluorobenzene SCHEMBL27879092 | 0.86 | CES2 (0.44) | KCNN4MAPTCYP3A4TSHRHSD17B10 | |
| Fluorobenzene SCHEMBL28057296 | 0.84 | NOS3 (0.44) | KCNN4TSHRHSD17B10NOS3NOS1 |
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-114516815-A | Controllable defluorination deuteration method for polyfluoroamide | 中国科学技术大学 | 2022-05-20 | — | — | CN | disclosed |
| CN-109641878-A | DIPROVOCIM: a new class of effective TLR agonist | 斯克里普斯研究学院 | 2019-04-16 | — | — | CN | disclosed |