Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.31 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.31 |
| ▸ | CCR3 | P51677 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | TOP2A | P11388 | 2/20 | 0.31 |
| ▸ | TOP2B | Q02880 | 2/20 | 0.31 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.30 |
| ▸ | PIM1 | P11309 | 1/20 | 0.30 |
| ▸ | GSK3A | P49840 | 1/20 | 0.30 |
| ▸ | GSK3B | P49841 | 1/20 | 0.30 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.30 |
| ▸ | CSNK1G1 | Q9HCP0 | 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 | |
|---|---|---|---|---|
| SCHEMBL9865852 | 0.89 | CHRM1 (0.34) | KDM4ESMN1; SMN2CYP1A2CHRM1CCR3 | |
| SCHEMBL9866818 | 0.77 | GSK3B (0.38) | POLBTOP2ATOP2BGSK3B | |
| Hydrochloric Acid SCHEMBL6005743 | 0.74 | ALDH1A1 (0.48) | ALDH1A1POLBCHRM2CHRM1OPRM1 | |
| SCHEMBL3315232 | 0.73 | ALDH1A1 (0.43) | ALDH1A1POLBCHRM2CHRM1OPRM1 | |
| SCHEMBL4715010 | 0.68 | KDM4E (0.57) | KDM4ESMN1; SMN2CYP1A2ALDH1A1POLB | |
| SCHEMBL9865154 | 0.67 | FOXO1 (0.35) | POLBCHRM1TOP2ATOP2BGSK3B | |
| SCHEMBL8324882 | 0.67 | CHRM2 (0.42) | KDM4ECHRM2 | |
| SCHEMBL15134878 | 0.66 | PDE2A (0.36) | KDM4ESMN1; SMN2CYP1A2ALDH1A1POLB | |
| SCHEMBL9249913 | 0.66 | KCNH2 (0.41) | KDM4ESMN1; SMN2CYP1A2ALDH1A1POLB | |
| Heptane SCHEMBL8861899 | 0.64 | KDM4E (0.52) | KDM4ESMN1; SMN2CYP1A2ALDH1A1POLB |
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 |
|---|---|---|---|---|---|---|---|
| US-4992546-A | Process for preparing 6,8-diazabicyclo[3.2.2]nonane derivatives | WARNER-LAMBERT COMPANY (US) | 1991-02-12 | — | — | US | disclosed |
| US-4968799-A | Antibacterial agents | WARNER-LAMBERT COMPANY (US) | 1990-11-06 | — | — | US | disclosed |
| US-4962108-A | A QUIN-4-ONE HAVING THE FOLLOWING RING SUBSTITUENTS; 1-ALKYL OR PHENYL, 3-CARBOXY DERIVATIVE, 6-FLUORO AND 8-BRIDGED N-HETEROCYCLIC RING | WARNER-LAMBERT COMPANY (US) | 1990-10-09 | — | — | US | disclosed |
| US-4923879-A | CARBOXYLIC ACID DERIVATIVES WITH BRIDGED SIDECHAINS | WARNER-LAMBERT COMPANY (US) | 1990-05-08 | — | — | US | disclosed |
| EP-0305744-A2 | Quinoline, naphthyridine and benzoxazine-carboxylic acid derivatives and their use as antibacterial agents | WARNER-LAMBERT COMPANY (US) | 1989-03-08 | — | — | EP | disclosed |