Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 1/20 | 0.47 |
| ▸ | CCR5 | P51681 | 1/20 | 0.47 |
| ▸ | CCR8 | P51685 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.43 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.43 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.43 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.43 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.43 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3782058 | 0.81 | CCR1 (0.52) | CCR1CCR5CCR8CYP3A4CYP2C9 | |
| SCHEMBL20890601 | 0.80 | MAP3K5 (0.41) | CYP3A4TSHRKMT2ASMN1; SMN2MAP3K5 | |
| SCHEMBL12594227 | 0.80 | NOS3 (0.45) | CYP3A4CYP2C9CYP2C19TSHRMEN1 | |
| SCHEMBL19454936 | 0.77 | TDO2 (0.48) | CYP3A4TSHRGRIN2DGRIN3BGRIN1 | |
| SCHEMBL21858471 | 0.76 | ADRB1 (0.60) | ALDH1A1EGLN2KDM4ENOS3NOS2 | |
| SCHEMBL1569134 | 0.76 | PIK3CA (0.55) | — | |
| SCHEMBL10275026 | 0.75 | CCR1 (0.50) | CCR1CCR5CCR8CYP3A4CYP2C9 | |
| SCHEMBL17263330 | 0.75 | PIK3CA (0.61) | MEN1KMT2AALDH1A1KDM4ENPC1 | |
| SCHEMBL1568266 | 0.75 | KDM4C (0.50) | TSHRPOLBSMN1; SMN2KDM4ENPC1 | |
| SCHEMBL12859179 | 0.74 | CYP3A4 (0.48) | CCR1CCR5CCR8CYP3A4CYP2C9 |
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-102803250-A | 1, 3-disubstituted imidazolidin-2-one derivatives as inhibitors of CYP17 | NOVARTIS AG | 2012-11-28 | — | — | CN | claimed |
| WO-2019074979-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | GIRAFPHARMA, LLC (US) | 2019-04-18 | — | — | WO | disclosed |
| CN-102803250-B | 1, 3-disubstituted imidazolidin-2-one derivatives as inhibitors of CYP17 | NOVARTIS AG | 2014-04-16 | — | — | CN | disclosed |
| CN-102803250-A | 1, 3-disubstituted imidazolidin-2-one derivatives as inhibitors of CYP17 | NOVARTIS AG | 2012-11-28 | — | — | CN | disclosed |