Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 1/20 | 0.42 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.42 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.42 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.37 |
| ▸ | ALPL | P05186 | 1/20 | 0.37 |
| ▸ | XIAP | P98170 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | MYC | P01106 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3273583 | 0.81 | TSHR (0.59) | P2RX7TAS1R3TAS1R1TAS1R2KDM4E | |
| SCHEMBL3675034 | 0.80 | HPGD (0.46) | KDM4EALDH1A1HPGDHSD17B10ENPP3 | |
| SCHEMBL23070440 | 0.78 | KMT2A (0.48) | P2RX7TAS1R3TAS1R1TAS1R2KDM4E | |
| SCHEMBL697613 | 0.76 | TAS1R3 (0.46) | P2RX7TAS1R3TAS1R1TAS1R2KDM4E | |
| SCHEMBL2963108 | 0.76 | P2RX7 (0.46) | P2RX7TAS1R3TAS1R1TAS1R2KDM4E | |
| SCHEMBL306828 | 0.76 | TSHR (0.63) | P2RX7TAS1R3TAS1R1TAS1R2KDM4E | |
| SCHEMBL2466290 | 0.75 | CLCN2 (0.51) | P2RX7TAS1R3TAS1R1TAS1R2KDM4E | |
| Toluene SCHEMBL28735230 | 0.74 | HPGD (0.44) | KDM4EALDH1A1HPGDHSD17B10ENPP3 | |
| SCHEMBL16019020 | 0.73 | P2RX7 (0.48) | P2RX7TAS1R3TAS1R1TAS1R2KDM4E | |
| Hydrochloric Acid SCHEMBL28796608 | 0.73 | CLCN2 (0.50) | P2RX7TAS1R3TAS1R1TAS1R2KDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1037175-C | Halomethylbenzoyl cyanides and process for preparing same | BASF AG (DE) | 1998-01-28 | — | — | CN | disclosed |
| CN-1030911-C | Dibenzoylalkylcyanohydrazines | ROHM & HAAS (US) | 1996-02-07 | — | — | CN | disclosed |
| CN-1097412-A | Preparation of halomethylbenzoyl cyanides and novel halomethylbenzoyl cyanides | BASF AG (DE) | 1995-01-18 | — | — | CN | disclosed |