Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRR1 | P24046 | 5/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | GRM4 | Q14833 | 4/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | GRM8 | O00222 | 1/20 | 0.33 |
| ▸ | GRM6 | O15303 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | GABRR2 | P28476 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1030281 | 1.00 | GABRR1 (0.39) | GABRR1ALDH1A1LMNAPOLBGRM4 | |
| SCHEMBL1030623 | 1.00 | GABRR1 (0.39) | GABRR1ALDH1A1LMNAPOLBGRM4 | |
| SCHEMBL1030622 | 1.00 | GABRR1 (0.39) | GABRR1ALDH1A1LMNAPOLBGRM4 | |
| SCHEMBL8261790 | 0.88 | GABRR1 (0.37) | GABRR1ALDH1A1LMNAPOLBGRM4 | |
| SCHEMBL1225729 | 0.86 | GABRR1 (0.31) | GABRR1 | |
| SCHEMBL12956004 | 0.84 | HDAC4 (0.39) | ALDH1A1LMNAPOLBKMT2ATDP1 | |
| SCHEMBL13678759 | 0.83 | ALDH1A1 (0.38) | GABRR1ALDH1A1LMNAPOLB | |
| Icofungipen SCHEMBL6268842 | 0.83 | GABRR1 (0.48) | GABRR1ALDH1A1GRM4CYP2C19MEN1 | |
| Icofungipen SCHEMBL6268839 | 0.83 | GABRR1 (0.48) | GABRR1ALDH1A1GRM4CYP2C19MEN1 | |
| Icofungipen SCHEMBL3950387 | 0.83 | GABRR1 (0.48) | GABRR1ALDH1A1GRM4CYP2C19MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5877343-A | Efficient and highly enantioselective process for the preparation of enantiomerically pure cyclopentane-β-amino acids | BAYER AKTIENGESELLSCHAFT (DE) | 1999-03-02 | — | — | US | disclosed |