Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 5/20 | 0.40 |
| ▸ | NOS3 | P29474 | 1/20 | 0.40 |
| ▸ | NOS1 | P29475 | 1/20 | 0.40 |
| ▸ | NOS2 | P35228 | 1/20 | 0.40 |
| ▸ | HRH1 | P35367 | 1/20 | 0.39 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9855215 | 1.00 | IDO1 (0.40) | IDO1NOS3NOS1NOS2HRH1 | |
| SCHEMBL9854869 | 1.00 | IDO1 (0.40) | IDO1NOS3NOS1NOS2HRH1 | |
| SCHEMBL10797539 | 0.82 | HTR2A (0.46) | IDO1NOS3NOS1NOS2HRH1 | |
| SCHEMBL9854971 | 0.82 | CYP2D6 (0.48) | SMN1; SMN2CYP1A2CYP2D6CYP3A4CYP2C9 | |
| Hydrochloric Acid SCHEMBL10794524 | 0.81 | HTR2A (0.44) | IDO1NOS3NOS1NOS2HRH1 | |
| SCHEMBL5069636 | 0.78 | ACE (0.39) | IDO1NOS3NOS1NOS2TSHR | |
| SCHEMBL14031967 | 0.76 | CYP2C19 (0.42) | IDO1NOS3NOS1NOS2CYP1A2 | |
| SCHEMBL26919316 | 0.72 | CYP2D6 (0.39) | IDO1NOS3NOS1NOS2HRH1 | |
| SCHEMBL27482362 | 0.72 | TRPA1 (0.47) | HRH1LOXL2CYP2A6HTR2ASMN1; SMN2 | |
| SCHEMBL27449475 | 0.72 | TRPA1 (0.47) | HRH1LOXL2CYP2A6HTR2ASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5071843-A | Thienamycin antibiotics with delayed metabolism | MERCK & CO., INC. (US) | 1991-12-10 | — | — | US | disclosed |
| EP-0161546-B1 | COMBINATION OF 2-SUBSTITUTED CARBAPENEMS WITH DIPEPTIDASE INHIBITORS | MERCK & CO. INC. (US) | 1989-12-13 | — | — | EP | disclosed |
| EP-0161546-A1 | Combination of 2-substituted carbapenems with dipeptidase inhibitors | MERCK & CO. INC. (US) | 1985-11-21 | — | — | EP | disclosed |