Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | FAAH | O00519 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL6949941 | 0.84 | EPHX2 (0.45) | LMNAMEN1KMT2AL3MBTL1EPHX2 | |
| SCHEMBL7209767 | 0.82 | EPHX2 (0.47) | LMNAMEN1KMT2AL3MBTL1EPHX2 | |
| SCHEMBL8655174 | 0.80 | GBA1 (0.47) | LMNAMEN1KMT2AL3MBTL1ALDH1A1 | |
| SCHEMBL9342644 | 0.78 | AKR1B1 (0.46) | LMNAAKR1B1EPHX2ALDH1A1HPGD | |
| SCHEMBL17801467 | 0.77 | LMNA (0.46) | LMNAMEN1KMT2ACES2CES1 | |
| SCHEMBL1155730 | 0.77 | FAAH (0.55) | LMNAMEN1KMT2ACES2CES1 | |
| SCHEMBL12950567 | 0.77 | L3MBTL1 (0.47) | LMNAMEN1KMT2ACES2CES1 | |
| SCHEMBL8669232 | 0.76 | AKR1B1 (0.46) | LMNAMEN1KMT2ACES2CES1 | |
| SCHEMBL27503843 | 0.71 | L3MBTL1 (0.52) | LMNAMEN1KMT2ACES2CES1 | |
| SCHEMBL8735122 | 0.71 | LMNA (0.53) | LMNAMEN1KMT2ACES2CES1 |
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-0691961-A1 | SUBSTITUTED CAPROLACTAMS AND DERIVATIVES THEREOF USEFUL FOR TREATMENT OF HIV DISEASE | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-01-17 | — | — | EP | disclosed |
| WO-1994008977-A1 | SUBSTITUTED CAPROLACTAMS AND DERIVATIVES THEREOF USEFUL FOR TREATMENT OF AIDS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1994-04-28 | — | — | WO | disclosed |