Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | TP53 | P04637 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | HTR2B | P41595 | 1/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 4/20 | 0.37 |
| ▸ | NPC1 | O15118 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6306025 | 0.75 | NOS3 (0.36) | HTR2BALDH1A1KMT2AHTR2A | |
| Benzene SCHEMBL27791155 | 0.74 | LMNA (0.54) | MAPTTP53LMNACYP1A2CYP3A4 | |
| SCHEMBL29370508 | 0.74 | LMNA (0.54) | MAPTTP53LMNACYP1A2CYP3A4 | |
| SCHEMBL70993 | 0.74 | LMNA (0.54) | MAPTTP53LMNACYP1A2CYP3A4 | |
| SCHEMBL25171318 | 0.74 | LMNA (0.54) | MAPTTP53LMNACYP1A2CYP3A4 | |
| SCHEMBL25028023 | 0.72 | LMNA (0.54) | MAPTTP53LMNACYP1A2CYP3A4 | |
| SCHEMBL3135177 | 0.71 | CYP1A2 (0.58) | MAPTTP53LMNACYP1A2CYP3A4 | |
| SCHEMBL4717103 | 0.70 | MAPT (0.43) | MAPTTP53LMNACYP1A2CYP3A4 | |
| SCHEMBL6305363 | 0.69 | HTR2A (0.38) | MAPTLMNACYP1A2CYP3A4ALDH1A1 | |
| SCHEMBL4937596 | 0.68 | TP53 (0.59) | MAPTTP53LMNACYP1A2CYP3A4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6958330-B1 | Polycyclic α-amino-ε-caprolactams and related compounds | ELAN PHARMACEUTICALS, INC. (US) | 2005-10-25 | — | — | US | claimed |
| US-6958330-B1 | Polycyclic α-amino-ε-caprolactams and related compounds | ELAN PHARMACEUTICALS, INC. (US) | 2005-10-25 | — | — | US | disclosed |
| EP-1042298-A1 | POLYCYCLIC ALPHA-AMINO-EPSILON-CAPROLACTAMS AND RELATED COMPOUNDS | Elan Pharmaceuticals, Inc. (US) | 2000-10-11 | — | — | EP | disclosed |
| WO-1999032453-A1 | POLYCYCLIC α-AMINO-⊂-CAPROLACTAMS AND RELATED COMPOUNDS | ELAN PHARMACEUTICALS, INC. (US) | 1999-07-01 | — | — | WO | disclosed |