Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.45 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.45 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.45 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.45 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.45 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.45 |
| ▸ | CALCRL | Q16602 | 1/20 | 0.42 |
| ▸ | PADI4 | Q9UM07 | 1/20 | 0.42 |
| ▸ | PADI2 | Q9Y2J8 | 1/20 | 0.42 |
| ▸ | MMP8 | P22894 | 3/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.41 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8143408 | 0.88 | CTSC (0.41) | F2 | |
| SCHEMBL7722172 | 0.82 | MMP2 (0.40) | HDAC3HDAC1HDAC2HDAC10HDAC11 | |
| Hydrochloric Acid SCHEMBL7729651 | 0.82 | MMP2 (0.40) | HDAC3HDAC1HDAC2HDAC10HDAC11 | |
| SCHEMBL17770546 | 0.81 | POLB (0.41) | HDAC3HDAC1HDAC2HDAC10HDAC11 | |
| SCHEMBL7722316 | 0.81 | F2 (0.36) | CHRNB2CHRNB4CHRNA3CHRNA4HDAC3 | |
| SCHEMBL21436517 | 0.81 | F2 (0.36) | CHRNB2CHRNB4CHRNA3CHRNA4HDAC3 | |
| Hydrochloric Acid SCHEMBL7729657 | 0.81 | POLB (0.40) | HDAC3HDAC1HDAC2HDAC10HDAC11 | |
| SCHEMBL21436233 | 0.80 | MMP8 (0.37) | PADI4PADI2MMP8F2 | |
| SCHEMBL7723535 | 0.80 | ALOX15 (0.44) | HDAC1PADI4PADI2KMT2AMEN1 | |
| SCHEMBL21523180 | 0.80 | ALOX15 (0.44) | HDAC1PADI4PADI2KMT2AMEN1 |
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 |