Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 19/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | THPO | P40225 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.45 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL1991011 | 0.77 | GRM5 (0.52) | GRM5ALDH1A1CYP1A2 | |
| SCHEMBL5703274 | 0.77 | GRM5 (0.52) | GRM5ALDH1A1CYP1A2 | |
| SCHEMBL5698268 | 0.77 | GRM5 (0.35) | GRM5 | |
| SCHEMBL16164065 | 0.75 | GRM5 (0.36) | GRM5 | |
| SCHEMBL875213 | 0.75 | GRM5 (0.36) | GRM5 | |
| SCHEMBL875214 | 0.74 | GRM5 (0.35) | GRM5 | |
| SCHEMBL875215 | 0.74 | GRM5 (0.35) | GRM5 | |
| SCHEMBL8286828 | 0.74 | GRM5 (0.81) | GRM5KDM4EMEN1NPC1ALDH1A1 | |
| SCHEMBL5698298 | 0.74 | GRM5 (0.67) | GRM5KDM4EMEN1NPC1ALDH1A1 | |
| SCHEMBL5698271 | 0.73 | GRM5 (1.00) | GRM5KDM4EMEN1NPC1ALDH1A1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1871001-A | Alkynes III | ASTRAZENECA AB (SE) | 2006-11-29 | — | — | CN | disclosed |
| EP-1677788-A1 | ALKYNES III | AstraZeneca AB (SE) | 2006-07-12 | — | — | EP | disclosed |
| EP-1677790-A1 | ALKYNES II | AstraZeneca AB (SE) | 2006-07-12 | — | — | EP | disclosed |
| WO-2005044265-A1 | ALKYNES III | ASTRAZENECA AB (SE) | 2005-05-19 | — | — | WO | disclosed |
| WO-2005044265-A1 | ALKYNES III | ASTRAZENECA AB (SE) | 2005-05-19 | — | — | WO | disclosed |
| WO-2005044267-A1 | ALKYNES II | ASTRAZENECA AB (SE) | 2005-05-19 | — | — | WO | disclosed |
| EP-1214303-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF | Merck & Co., Inc. (US) | 2002-06-19 | — | — | EP | disclosed |
| WO-2001016121-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF | MERCK & CO., INC. (US) | 2001-03-08 | — | — | WO | disclosed |