Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.49 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.49 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.49 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.49 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | CLK2 | P49760 | 1/20 | 0.35 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7841882 | 0.90 | KCNH2 (0.52) | ALDH1A1POLBOPRM1KCNH2KDM4E | |
| Trifluoroacetic Acid SCHEMBL8925203 | 0.89 | ALDH1A1 (0.57) | ALDH1A1POLBOPRM1CHRM2CHRM1 | |
| Trifluoroacetic Acid SCHEMBL9214717 | 0.86 | ALDH1A1 (0.46) | ALDH1A1POLBOPRM1CHRM2CHRM1 | |
| SCHEMBL8929962 | 0.84 | ALDH1A1 (0.53) | ALDH1A1POLBOPRM1CHRM2CHRM1 | |
| Trifluoroacetic Acid SCHEMBL7844915 | 0.83 | KCNH2 (0.49) | ALDH1A1POLBOPRM1CHRM2CHRM1 | |
| Hydrochloric Acid SCHEMBL7846574 | 0.82 | KCNH2 (0.47) | ALDH1A1POLBOPRM1CHRM2CHRM1 | |
| SCHEMBL7995316 | 0.82 | KCNH2 (0.33) | ALDH1A1POLBOPRM1CHRM2CHRM1 | |
| Trifluoroacetic Acid SCHEMBL7842190 | 0.81 | KCNH2 (0.44) | ALDH1A1POLBOPRM1CHRM2CHRM1 | |
| SCHEMBL7835761 | 0.80 | KCNH2 (0.46) | ALDH1A1POLBOPRM1CHRM2CHRM1 | |
| SCHEMBL7495691 | 0.80 | KCNH2 (0.58) | ALDH1A1POLBOPRM1CHRM2CHRM1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5621105-A | REACTING HALO-SUBSTITUTED QUINOLONECARBOXYLIC ACID OR NAPHTHYRIDONECARBOXYLIC ACID WITH 1-AMINOMETHYL-2-OXA-7-AZABICYCLO/3.3.0/OCTANE | BAYER AKTIENGESELLSCHAFT (DE) | 1997-04-15 | — | — | US | disclosed |
| US-5574161-A | GRAMPOSITIVE BACTERICIDE | BAYER AKTIENGESELLSCHAFT (DE) | 1996-11-12 | — | — | US | disclosed |
| US-5395944-A | Bactericides | BAYER AKTIENGESELLSCHAFT (DE) | 1995-03-07 | — | — | US | disclosed |