Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.76 |
| ▸ | HCAR2 | Q8TDS4 | 4/20 | 0.66 |
| ▸ | HPGD | P15428 | 1/20 | 0.59 |
| ▸ | TSHR | P16473 | 1/20 | 0.59 |
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.56 |
| ▸ | APP | P05067 | 5/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | NAAA | Q02083 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL690841 | 1.00 | ATM (0.76) | ATMHCAR2HPGDTSHRMAPT | |
| SCHEMBL690840 | 1.00 | ATM (0.76) | ATMHCAR2HPGDTSHRMAPT | |
| SCHEMBL27672601 | 0.94 | HCAR2 (0.67) | ATMHCAR2HPGDTSHRMAPT | |
| SCHEMBL9561263 | 0.92 | HCAR2 (0.68) | ATMHCAR2HPGDTSHRMAPT | |
| SCHEMBL9561799 | 0.92 | HCAR2 (0.68) | ATMHCAR2HPGDTSHRMAPT | |
| SCHEMBL9111143 | 0.92 | HCAR2 (0.68) | ATMHCAR2HPGDTSHRMAPT | |
| SCHEMBL28108181 | 0.92 | HCAR2 (0.68) | ATMHCAR2HPGDTSHRMAPT | |
| SCHEMBL3422605 | 0.89 | ATM (0.60) | ATMHCAR2HPGDTSHRMAPT | |
| SCHEMBL691276 | 0.87 | HCAR2 (0.63) | ATMHCAR2HPGDTSHRMAPT | |
| SCHEMBL691277 | 0.87 | HCAR2 (0.63) | ATMHCAR2HPGDTSHRMAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-5189182-A | Catalytic cyclization | BASF AKTIENGESELLSCHAFT (DE) | 1993-02-23 | — | — | US | disclosed |
| EP-0306875-A2 | Process for the preparation of 5-methyl butyrolactone | BASF Aktiengesellschaft (DE) | 1989-03-15 | — | — | EP | disclosed |