Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 1/20 | 0.50 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.40 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | ARG2 | P78540 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | ESRRG | P62508 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | LTA4H | P09960 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29288284 | 0.93 | CYP19A1 (0.48) | MAOBTRPV1CYP1A2CYP19A1POLB | |
| SCHEMBL29465773 | 0.84 | TSHR (0.54) | CYP1A2LMNAMAPTRAB9ACYP19A1 | |
| SCHEMBL9072174 | 0.82 | MAOB (0.56) | MAOBMAPTCA1CA2ARG2 | |
| SCHEMBL1892917 | 0.82 | MAOB (0.67) | MAOBMAPTCA1CA2ARG2 | |
| SCHEMBL4256257 | 0.82 | MAOB (0.67) | MAOBMAPTCA1CA2ARG2 | |
| SCHEMBL163963 | 0.82 | MAOB (0.67) | MAOBMAPTCA1CA2ARG2 | |
| SCHEMBL3847305 | 0.81 | MAOB (0.54) | MAOBLMNAMAPTHTTCA1 | |
| SCHEMBL30001391 | 0.80 | HTR2A (0.42) | TRPV1CYP1A2LMNAMAPTRAB9A | |
| SCHEMBL7535089 | 0.80 | CYP1A2 (0.55) | MAOBTRPV1CYP1A2LMNARAB9A | |
| SCHEMBL6546384 | 0.80 | CYP1A2 (0.55) | MAOBTRPV1CYP1A2LMNARAB9A |
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 |
|---|---|---|---|---|---|---|---|
| CN-111892559-B | Application of chiral TADDOL ligand and rare earth metal amide in combined catalysis of asymmetric reaction | 苏州大学 | 2022-04-12 | — | — | CN | disclosed |