Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7328671 | 0.91 | ALDH1A1 (0.40) | ALDH1A1USP2ALOX15TDP1CYP1A2 | |
| SCHEMBL23435952 | 0.81 | CHRM2 (0.41) | ALDH1A1CHRM2MEN1CYP2D6KMT2A | |
| SCHEMBL7319174 | 0.81 | CHRM2 (0.41) | ALDH1A1CHRM2MEN1CYP2D6KMT2A | |
| SCHEMBL23315373 | 0.81 | CHRM2 (0.41) | ALDH1A1CHRM2MEN1CYP2D6KMT2A | |
| SCHEMBL4379412 | 0.78 | ALOX5 (0.42) | ALDH1A1TDP1CYP1A2L3MBTL1CHRM2 | |
| SCHEMBL2092979 | 0.78 | CHRNA7 (0.41) | ALDH1A1L3MBTL1CHRM2MEN1CYP2D6 | |
| SCHEMBL28682845 | 0.76 | ALOX5 (0.41) | ALDH1A1TDP1CYP1A2L3MBTL1CHRM2 | |
| SCHEMBL9696811 | 0.74 | CHRM1 (0.40) | CHRM2MEN1CYP2D6KMT2ACHRM1 | |
| SCHEMBL25606145 | 0.74 | CHRM1 (0.40) | CHRM2MEN1CYP2D6KMT2ACHRM1 | |
| SCHEMBL20093602 | 0.73 | ALDH1A1 (0.43) | ALDH1A1USP2ALOX15TDP1CYP1A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0625979-A1 | AZABRICYCLIC COMPOUNDS AS CALCIUM CHANNEL ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1994-11-30 | — | — | EP | disclosed |
| WO-1993015073-A1 | AZABRICYCLIC COMPOUNDS AS CALCIUM CHANNEL ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1993-08-05 | — | — | WO | disclosed |