Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.54 |
| ▸ | HTR6 | P50406 | 2/20 | 0.54 |
| ▸ | HTR3A | P46098 | 2/20 | 0.54 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.54 |
| ▸ | HTR2C | P28335 | 2/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.54 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.54 |
| ▸ | USP2 | O75604 | 1/20 | 0.54 |
| ▸ | HTR3B | O95264 | 1/20 | 0.54 |
| ▸ | HTR1A | P08908 | 1/20 | 0.54 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.54 |
| ▸ | HTR7 | P34969 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.54 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL24969947 | 0.94 | CHRNB2 (0.58) | TDP1KDM4EALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL30762475 | 0.84 | KDM4E (0.62) | TDP1KDM4EALDH1A1CYP1A2HSD17B10 | |
| SCHEMBL24970180 | 0.83 | CYP1A2 (0.48) | TDP1KDM4ECYP1A2CYP3A4HSD17B10 | |
| SCHEMBL31142928 | 0.83 | CYP1A2 (0.48) | TDP1KDM4ECYP1A2CYP3A4HSD17B10 | |
| SCHEMBL6770354 | 0.83 | ADRB1 (0.56) | TDP1KDM4EALDH1A1CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL30223085 | 0.82 | CYP1A2 (0.47) | TDP1KDM4ECYP1A2CYP3A4HSD17B10 | |
| SCHEMBL24969943 | 0.82 | ADRB1 (0.55) | TDP1CYP1A2CYP3A4HSD17B10HTR6 | |
| SCHEMBL31142848 | 0.82 | ADRB1 (0.55) | TDP1CYP1A2CYP3A4HSD17B10HTR6 | |
| SCHEMBL6225002 | 0.81 | HTR6 (0.54) | TDP1KDM4EALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL24969918 | 0.81 | HTR3A (0.54) | TDP1KDM4EALDH1A1CYP1A2CYP3A4 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4373808-A1 | GRAM-NEGATIVE BACTERIA EFFLUX PUMP INHIBITORS | Institut national de la santé et de la recherche médicale (INSERM) (FR) | 2024-05-29 | — | — | EP | claimed |
| WO-2023002011-A1 | GRAM-NEGATIVE BACTERIA EFFLUX PUMP INHIBITORS | INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) | 2023-01-26 | — | — | WO | claimed |
| EP-4373808-A1 | GRAM-NEGATIVE BACTERIA EFFLUX PUMP INHIBITORS | Institut national de la santé et de la recherche médicale (INSERM) (FR) | 2024-05-29 | — | — | EP | disclosed |
| WO-2023002011-A1 | GRAM-NEGATIVE BACTERIA EFFLUX PUMP INHIBITORS | INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) | 2023-01-26 | — | — | WO | disclosed |
| WO-2023002011-A1 | GRAM-NEGATIVE BACTERIA EFFLUX PUMP INHIBITORS | INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) | 2023-01-26 | — | — | WO | disclosed |