Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 4/20 | 0.60 |
| ▸ | BCHE | P06276 | 3/20 | 0.60 |
| ▸ | BACE1 | P56817 | 3/20 | 0.60 |
| ▸ | RORC | P51449 | 2/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | CCR5 | P51681 | 1/20 | 0.53 |
| ▸ | SLC18A3 | Q16572 | 2/20 | 0.52 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL4476807 | 0.94 | MEN1 (0.63) | ACHEBCHEBACE1MEN1KMT2A | |
| SCHEMBL6701595 | 0.92 | KMT2A (0.65) | ACHEBCHEBACE1RORCMEN1 | |
| SCHEMBL22755777 | 0.89 | MEN1 (0.68) | ACHEBCHEBACE1MEN1KMT2A | |
| SCHEMBL3598146 | 0.89 | MEN1 (0.68) | ACHEBCHEBACE1MEN1KMT2A | |
| SCHEMBL6023725 | 0.89 | MEN1 (0.68) | ACHEBCHEBACE1MEN1KMT2A | |
| SCHEMBL6902946 | 0.86 | MEN1 (0.74) | ACHEBCHEBACE1MEN1KMT2A | |
| SCHEMBL4485265 | 0.85 | CNR2 (0.60) | ACHEBCHEBACE1MEN1KMT2A | |
| SCHEMBL8844209 | 0.83 | MEN1 (0.57) | ACHEBCHEBACE1MEN1KMT2A | |
| SCHEMBL6042732 | 0.82 | RORC (0.58) | ACHEBCHEBACE1RORCKMT2A | |
| SCHEMBL31328443 | 0.82 | CCR5 (0.49) | ACHEBCHEBACE1RORCMEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104860954-B | A kind of phenyl ester spiropiperidines or spiropyrrolidines class compound and preparation method thereof | 南京天印健华医药科技有限公司 | 2018-05-04 | — | — | CN | claimed |
| WO-2018089406-A1 | ROR GAMMA MODULATORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-05-17 | — | — | WO | disclosed |
| CN-104860954-B | A kind of phenyl ester spiropiperidines or spiropyrrolidines class compound and preparation method thereof | 南京天印健华医药科技有限公司 | 2018-05-04 | — | — | CN | disclosed |