Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.65 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.65 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.55 |
| ▸ | ACHE | P22303 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.47 |
| ▸ | RAPGEF4 | Q8WZA2 | 2/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | TACR1 | P25103 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | TPMT | P51580 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Bromobenzene SCHEMBL9227147 | 0.95 | ALDH1A1 (0.58) | ALDH1A1TDP1MAPK1ACHETSHR | |
| Bromobenzene SCHEMBL6427476 | 0.85 | ALDH1A1 (0.69) | ALDH1A1TDP1MAPK1ACHETSHR | |
| SCHEMBL22384034 | 0.81 | ALDH1A1 (0.65) | ALDH1A1TDP1MAPK1ACHETSHR | |
| Bromobenzene SCHEMBL1997962 | 0.81 | — | — | |
| Bromobenzene SCHEMBL27395923 | 0.81 | — | — | |
| Bromobenzene SCHEMBL1331176 | 0.80 | — | — | |
| Bromobenzene SCHEMBL537562 | 0.80 | ALDH1A1 (1.00) | ALDH1A1TDP1MAPK1TSHRCYP2A6 | |
| Bromobenzene SCHEMBL1542 | 0.80 | — | — | |
| Bromobenzene SCHEMBL20537325 | 0.80 | ALDH1A1 (1.00) | ALDH1A1TDP1MAPK1TSHRCYP2A6 | |
| Bromobenzene SCHEMBL2158200 | 0.80 | — | — |
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-2020155595-A1 | AEROBIC OXIDATION SYSTEM CONTAINING SULFINIC ACID, SULFONIC ACID OR DERIVATIVES THEREOF AND PHOTOCATALYTIC OXIDATION METHOD THEREFOR | 清华大学 | 2020-08-06 | — | — | WO | disclosed |