Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNA5 | P22460 | 2/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CCR1 | P32246 | 1/20 | 0.40 |
| ▸ | CCR5 | P51681 | 1/20 | 0.40 |
| ▸ | CCR8 | P51685 | 1/20 | 0.40 |
| ▸ | METAP1 | P53582 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | DOHH | Q9BU89 | 1/20 | 0.40 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7156311 | 0.81 | KDM4E (0.45) | KCNA5KCNH2KDM4ELMNACYP1A2 | |
| SCHEMBL7152507 | 0.76 | AHR (0.34) | KCNA5KCNH2KDM4ELMNACYP1A2 | |
| SCHEMBL1299154 | 0.74 | KDM4E (0.48) | KDM4ELMNACYP1A2POLBCCR1 | |
| SCHEMBL29767661 | 0.74 | KDM4E (0.48) | KDM4ELMNACYP1A2POLBCCR1 | |
| SCHEMBL10356611 | 0.72 | KDM4E (0.46) | KDM4ELMNACYP1A2POLBCCR1 | |
| SCHEMBL7031343 | 0.71 | LMNA (0.40) | KDM4ELMNACYP1A2POLBCCR1 | |
| SCHEMBL29249733 | 0.71 | ALDH1A1 (0.46) | LMNACYP1A2P4HTMTSHRNPC1 | |
| SCHEMBL7029611 | 0.71 | KCNA5 (0.38) | KCNA5KCNH2KDM4ELMNACYP1A2 | |
| SCHEMBL18328033 | 0.71 | NOS3 (0.38) | KCNA5KCNH2KDM4ELMNACYP1A2 | |
| SCHEMBL4519903 | 0.71 | KCNA5 (0.38) | KCNA5KCNH2KDM4ELMNACYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106795177-A | BACE1 inhibitors | 豪夫迈·罗氏有限公司 | 2017-05-31 | — | — | CN | disclosed |
| CN-105431430-A | Bace1 inhibitors | HOFFMANN LA ROCHE | 2016-03-23 | — | — | CN | disclosed |
| EP-2984086-A1 | BACE1 INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2016-02-17 | — | — | EP | disclosed |
| WO-2014166906-A1 | BACE1 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2014-10-16 | — | — | WO | disclosed |