Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 2/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.36 |
| ▸ | USP2 | O75604 | 4/20 | 0.36 |
| ▸ | TSHR | P16473 | 4/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL21683027 | 0.95 | HSD11B1 (0.41) | HSD11B1EPHX2CYP2C9USP2TSHR | |
| SCHEMBL3391147 | 0.85 | HSD11B1 (0.44) | HSD11B1TSHRMEN1KMT2ALMNA | |
| SCHEMBL3393922 | 0.81 | MEN1 (0.47) | HSD11B1TSHRMEN1KMT2ALMNA | |
| SCHEMBL22325834 | 0.75 | HSD11B1 (0.42) | HSD11B1CYP2D6MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL18285758 | 0.74 | ALDH1A1 (0.33) | CYP2C9CYP2C19MEN1KMT2ACYP1A2 | |
| SCHEMBL18285754 | 0.74 | ALDH1A1 (0.33) | CYP2C9CYP2C19MEN1KMT2ACYP1A2 | |
| SCHEMBL28536867 | 0.71 | MEN1 (0.47) | HSD11B1TSHRMEN1KMT2ALMNA | |
| SCHEMBL21683080 | 0.71 | HIF1A (0.35) | CYP2C9USP2TSHRCYP2D6HSD17B10 | |
| SCHEMBL29884115 | 0.71 | GRIN1 (0.48) | HSD11B1EPHX2HSD17B10MEN1KMT2A | |
| SCHEMBL18285756 | 0.70 | KDM4E (0.34) | HSD11B1CYP2C9CYP3A4MEN1KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3833350-A1 | PYRROLOPYRIMIDINE ITK INHIBITORS | Aclaris Therapeutics, Inc. (US) | 2021-06-16 | — | — | EP | disclosed |
| WO-2020033955-A1 | PYRROLOPYRIMIDINE ITK INHIBITORS | ACLARIS THERAPEUTICS, INC. (US) | 2020-02-13 | — | — | WO | disclosed |