Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.58 |
| ▸ | TSHR | P16473 | 2/20 | 0.58 |
| ▸ | PLD2 | O14939 | 4/20 | 0.55 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.54 |
| ▸ | HTR1A | P08908 | 3/20 | 0.53 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.53 |
| ▸ | DRD2 | P14416 | 3/20 | 0.53 |
| ▸ | HTR2A | P28223 | 3/20 | 0.53 |
| ▸ | DRD3 | P35462 | 3/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.53 |
| ▸ | LMNA | P02545 | 3/20 | 0.53 |
| ▸ | MLNR | O43193 | 2/20 | 0.53 |
| ▸ | PGR | P06401 | 2/20 | 0.53 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.53 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.53 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.53 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.53 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.53 |
| ▸ | ADRA2C | P18825 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL22869746 | 1.00 | KMT2A (0.58) | KMT2ATSHRPLD2OPRM1HTR1A | |
| SCHEMBL30870137 | 0.83 | KMT2A (0.52) | KMT2ATSHRPLD2OPRM1DRD2 | |
| SCHEMBL22869512 | 0.83 | KMT2A (0.52) | KMT2ATSHRPLD2OPRM1DRD2 | |
| SCHEMBL28506714 | 0.83 | KMT2A (0.52) | KMT2ATSHRPLD2OPRM1DRD2 | |
| SCHEMBL20302481 | 0.81 | ALDH1A1 (0.54) | PLD2OPRM1CHRM1LMNACHRM2 | |
| SCHEMBL20334166 | 0.81 | ALDH1A1 (0.54) | PLD2OPRM1CHRM1LMNACHRM2 | |
| SCHEMBL22869573 | 0.81 | HSD11B1 (0.64) | PLD2OPRM1LMNAOPRK1PLD1 | |
| SCHEMBL22869396 | 0.81 | HTT (0.49) | KMT2ATSHRPLD2CHRM1DRD2 | |
| SCHEMBL28499858 | 0.81 | HTT (0.49) | KMT2ATSHRPLD2CHRM1DRD2 | |
| SCHEMBL30870207 | 0.81 | HTT (0.49) | KMT2ATSHRPLD2CHRM1DRD2 |
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-112074511-A | Substituted benzodiazoles and their use in therapy | 托马斯·黑勒戴药物研究基金会 | 2020-12-11 | — | — | CN | claimed |
| CN-112074511-B | Substituted benzodiazoles and their use in therapy | 托马斯·黑勒戴药物研究基金会 | 2024-04-26 | — | — | CN | disclosed |