Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 1/20 | 0.54 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.52 |
| ▸ | DRD2 | P14416 | 1/20 | 0.48 |
| ▸ | DRD1 | P21728 | 1/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.46 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.43 |
| ▸ | BCL2 | P10415 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL12110828 | 0.82 | DHFR (0.51) | DHFRENPP2DRD2DRD1TAAR1 | |
| SCHEMBL841645 | 0.81 | MAOB (0.53) | CYP3A4BCL2BCL2L1CA1CA2 | |
| SCHEMBL921907 | 0.81 | KEAP1 (0.62) | DHFRENPP2DRD2DRD1TAAR1 | |
| SCHEMBL2945469 | 0.79 | KEAP1 (0.64) | TAAR1ALOX15KMT2AKDM4EMAPT | |
| SCHEMBL27606271 | 0.78 | DHFR (0.48) | DHFRENPP2DRD2DRD1TAAR1 | |
| SCHEMBL27272716 | 0.78 | HTR2A (0.36) | DHFRCYP3A4BCL2BCL2L1 | |
| SCHEMBL21011240 | 0.78 | MAPT (0.58) | DRD2DRD1TAAR1ALOX15MAPK1 | |
| SCHEMBL3440707 | 0.78 | ENPP2 (0.47) | DHFRENPP2DRD2DRD1TAAR1 | |
| SCHEMBL5718444 | 0.78 | PNMT (0.52) | TAAR1CYP3A4ALOX15MAPK1KMT2A | |
| SCHEMBL542553 | 0.78 | HTR2A (0.56) | DHFRCYP3A4ALOX15KMT2AALOX5 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6399629-B1 | PYRROLIDINES AND PIPERIDINES FOR TREATING MICROBIAL INFECTIONS BY REDUCING EXPORT OF COADMINISTERED ANTIMICROBIAL AGENT OR COMPOUND SYNTHESIZED BY MICROBES FOR THEIR GROWTH; REDUCING IN VIVO AVAILABILITY | MICROCIDE PHARMACEUTICALS, INC. | 2002-06-04 | — | — | US | disclosed |