Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALM1 | P0DP23 | 1/20 | 0.52 |
| ▸ | CAMKK2 | Q96RR4 | 1/20 | 0.52 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.51 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.49 |
| ▸ | IDO1 | P14902 | 2/20 | 0.49 |
| ▸ | AGXT | P21549 | 2/20 | 0.49 |
| ▸ | QPCT | Q16769 | 1/20 | 0.48 |
| ▸ | LPO | P22079 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.46 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL1134088 | 0.90 | CALM1 (0.60) | CALM1CAMKK2AOC3LMNAMAPT | |
| SCHEMBL3893486 | 0.89 | MAOB (0.51) | CALM1CAMKK2AOC3HSD17B2LMNA | |
| SCHEMBL29336398 | 0.86 | MAOB (0.50) | LMNATAAR1IDO1AGXTMAOB | |
| SCHEMBL14266667 | 0.84 | TSHR (0.57) | LMNAALDH1A1NPSR1 | |
| SCHEMBL19302284 | 0.82 | PYCR1 (0.53) | CALM1AOC3LMNAMAPTIDO1 | |
| SCHEMBL29194781 | 0.82 | HRH3 (0.49) | CALM1CAMKK2LMNAMAPTALDH1A1 | |
| SCHEMBL9416597 | 0.81 | ACHE (0.59) | CALM1CAMKK2AOC3HSD17B2IDO1 | |
| SCHEMBL29194692 | 0.81 | DRD2 (0.51) | AOC3MAPTAGXTKDM4EALDH1A1 | |
| SCHEMBL22340432 | 0.81 | QPCT (0.52) | CALM1CAMKK2AOC3HSD17B2TAAR1 | |
| SCHEMBL1134084 | 0.80 | KMT2A (0.61) | CALM1CAMKK2AOC3HSD17B2TAAR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3707132-B1 | NEW METHOD FOR THE SYNTHESIS OF UNSYMMETRICAL TERTIARY AMINES | UNIV PARIS SACLAY (FR) | 2024-07-17 | — | — | EP | disclosed |