Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | MMP8 | P22894 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | PTPRA | P18433 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6909686 | 0.80 | SLC6A2 (0.50) | TP53LMNACYP2D6SLC6A2TAAR1 | |
| SCHEMBL28202156 | 0.73 | TAAR1 (0.48) | TP53LMNACYP2D6SLC6A2TAAR1 | |
| SCHEMBL28927873 | 0.70 | SLC6A2 (0.41) | TP53LMNACYP2D6SLC6A2TAAR1 | |
| SCHEMBL28074164 | 0.69 | TP53 (0.50) | TP53LMNACYP2D6SLC6A2TAAR1 | |
| SCHEMBL5088767 | 0.68 | SLC6A2 (0.50) | TP53LMNACYP2D6SLC6A2TAAR1 | |
| SCHEMBL4964541 | 0.68 | SLC6A2 (0.50) | TP53LMNACYP2D6SLC6A2TAAR1 | |
| SCHEMBL14587075 | 0.67 | TAAR1 (0.45) | TP53LMNACYP2D6SLC6A2TAAR1 | |
| SCHEMBL10462120 | 0.66 | SLC6A2 (0.54) | TP53LMNACYP2D6SLC6A2TAAR1 | |
| SCHEMBL872871 | 0.66 | SLC6A2 (0.54) | TP53LMNACYP2D6SLC6A2TAAR1 | |
| Methane SCHEMBL27048839 | 0.66 | TAAR1 (0.48) | TP53LMNACYP2D6SLC6A2TAAR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5510528-A | Preparation of halomethylbenzoly cyanides and novel halomethylbenzoyl cyanides | BASF AKTIENGESELLSCHAFT (DE) | 1996-04-23 | — | — | US | disclosed |
| US-5446199-A | Preparation of halomethylbenzoyl cyanides and novel halomethylbenzoyl cyanides | BASF AKTIENGESELLSCHAFT (DE) | 1995-08-29 | — | — | US | disclosed |