Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN1A | P35498 | 1/20 | 0.44 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.44 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | BCL2 | P10415 | 1/20 | 0.39 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.38 |
| ▸ | HRH1 | P35367 | 1/20 | 0.38 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7446846 | 0.83 | TSHR (0.39) | SCN1ASCN2ASCN3ATSHRCYP2D6 | |
| SCHEMBL7435318 | 0.83 | SCN1A (0.38) | SCN1ASCN2ASCN3ATSHRCYP2D6 | |
| SCHEMBL7439021 | 0.81 | SCN1A (0.36) | SCN1ASCN2ASCN3ATSHRCYP2D6 | |
| SCHEMBL7432308 | 0.79 | SCN1A (0.37) | SCN1ASCN2ASCN3ATSHRCYP2D6 | |
| SCHEMBL7446176 | 0.76 | ALDH1A1 (0.40) | CYP2D6LMNAALDH1A1GLAHPGD | |
| SCHEMBL8669232 | 0.74 | AKR1B1 (0.46) | LMNAAKR1B1HTR2AMEN1KMT2A | |
| SCHEMBL7441986 | 0.74 | ALDH1A1 (0.40) | CYP2D6LMNAAKR1B1MEN1KMT2A | |
| SCHEMBL9132381 | 0.74 | TSHR (0.44) | TSHRLMNAAKR1B1KDM4EL3MBTL1 | |
| SCHEMBL9132564 | 0.73 | SCN1A (0.41) | SCN1ASCN2ASCN3ATSHRCYP2D6 | |
| SCHEMBL9131019 | 0.72 | TSHR (0.41) | TSHRLMNAKDM4EALDH1A1GLA |
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 |