Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | NOS1 | P29475 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CDK9 | P50750 | 1/20 | 0.32 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.32 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.32 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | KDR | P35968 | 1/20 | 0.31 |
| ▸ | PARP1 | P09874 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | APP | P05067 | 1/20 | 0.30 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.30 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL30903368 | 1.00 | TDP1 (0.34) | TDP1NOS1KMT2ACDK9DYRK1A | |
| SCHEMBL789326 | 0.80 | NOS1 (0.32) | TDP1NOS1KMT2ACDK9DYRK1A | |
| SCHEMBL10914745 | 0.78 | PDE3B (0.44) | TDP1DYRK1A | |
| SCHEMBL12672175 | 0.77 | CYP1A2 (0.57) | TDP1KMT2AKDRCYP1A2CYP3A4 | |
| SCHEMBL18617575 | 0.76 | TDP1 (0.50) | TDP1NOS1KMT2APARP1KDM4E | |
| SCHEMBL28757458 | 0.75 | PLAU (0.50) | TDP1KMT2ADYRK1AKDRCYP3A4 | |
| SCHEMBL30973192 | 0.75 | BACE1 (0.47) | TDP1KMT2ACYP1A2CYP2D6CYP2C19 | |
| SCHEMBL24971016 | 0.75 | BACE1 (0.47) | TDP1KMT2ACYP1A2CYP2D6CYP2C19 | |
| SCHEMBL9005984 | 0.75 | KDM4E (0.50) | KMT2AKDRCYP1A2KDM4E | |
| SCHEMBL1598979 | 0.72 | BACE1 (0.39) | NOS1KDRCYP1A2APPHDAC1 |
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-118076585-A | Gram negative bacteria efflux pump inhibitors | 国家医疗保健研究所 | 2024-05-24 | — | — | CN | 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 |