Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | P2RX7 | Q99572 | 5/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | HTR1A | P08908 | 1/20 | 0.47 |
| ▸ | SCN1A | P35498 | 1/20 | 0.47 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.47 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL22692963 | 0.76 | CYP1A2 (0.67) | CYP1A2CYP3A4POLBCYP2C19KDM4E | |
| SCHEMBL31259544 | 0.76 | CYP1A2 (0.62) | CYP1A2CYP3A4POLBCYP2C19KDM4E | |
| SCHEMBL7933231 | 0.75 | CYP1A2 (0.65) | CYP1A2CYP3A4POLBCYP2C19KDM4E | |
| SCHEMBL22664823 | 0.75 | CYP1A2 (0.65) | CYP1A2CYP3A4POLBCYP2C19KDM4E | |
| SCHEMBL10714710 | 0.75 | CYP1A2 (0.65) | CYP1A2CYP3A4POLBCYP2C19KDM4E | |
| Phosphine SCHEMBL23295959 | 0.74 | CYP1A2 (0.64) | CYP1A2CYP3A4POLBCYP2C19KDM4E | |
| Bromide SCHEMBL23295960 | 0.74 | CYP1A2 (0.64) | CYP1A2CYP3A4POLBCYP2C19KDM4E | |
| SCHEMBL6943139 | 0.74 | P2RX7 (0.60) | CYP2C19P2RX7LMNASMN1; SMN2 | |
| SCHEMBL31538613 | 0.73 | CYP1A2 (0.62) | CYP1A2CYP3A4POLBCYP2C19KDM4E | |
| SCHEMBL23332711 | 0.73 | CYP1A2 (0.62) | CYP1A2CYP3A4POLBCYP2C19KDM4E |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1036058-B1 | ADAMANTANE DERIVATIVES | ASTRAZENECA UK LTD (GB) | 2003-03-12 | — | — | EP | claimed |
| EP-1036058-B1 | ADAMANTANE DERIVATIVES | ASTRAZENECA UK LTD (GB) | 2003-03-12 | — | — | EP | disclosed |
| US-6242470-B1 | RHEUMATIC DISEASES; ANTIARTHRITIC AGENTS, ANTIALLERGENS; IRRITABLE BOWEL SYNDROME; AMIDATION | ASTRAZENECA AB (SE) | 2001-06-05 | — | — | US | disclosed |
| EP-1036058-A1 | ADAMANTANE DERIVATIVES | AstraZeneca UK Limited (GB) | 2000-09-20 | — | — | EP | disclosed |
| WO-1999029660-A1 | ADAMANTANE DERIVATIVES | ASTRAZENECA UK LIMITED (GB) | 1999-06-17 | — | — | WO | disclosed |