Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | ABL1 | P00519 | 5/20 | 0.40 |
| ▸ | BCR | P11274 | 5/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 7/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.38 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.38 |
| ▸ | F10 | P00742 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7727754 | 0.96 | POLB (0.44) | POLBNPC1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL7725709 | 0.91 | NPC1 (0.43) | POLBNPC1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL7731725 | 0.89 | HDAC8 (0.44) | POLBNPC1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL7726523 | 0.88 | HDAC8 (0.41) | POLBNPC1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL7731479 | 0.88 | HDAC8 (0.44) | POLBNPC1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL7727252 | 0.85 | KDM4E (0.46) | POLBNPC1HDAC8ALDH1A1 | |
| SCHEMBL7721906 | 0.82 | USP30 (0.39) | POLBCYP1A2CYP3A4CYP2C19ABL1 | |
| SCHEMBL7729236 | 0.81 | HDAC4 (0.41) | POLBNPC1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL7730697 | 0.80 | SMN1; SMN2 (0.44) | MEN1KMT2AALDH1A1 | |
| SCHEMBL7728738 | 0.80 | KDM4E (0.46) | POLBMEN1KMT2AALDH1A1 |
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 |