Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIT | P10721 | 1/20 | 0.36 |
| ▸ | EGLN1 | Q9GZT9 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 2/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | ABL1 | P00519 | 1/20 | 0.34 |
| ▸ | BCR | P11274 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL24743017 | 0.73 | DHODH (0.39) | CTSA | |
| SCHEMBL24742405 | 0.70 | RET (0.39) | CYP1A2KDM4ECYP3A4HSD17B10CYP2C19 | |
| SCHEMBL24742406 | 0.68 | AURKA (0.43) | CYP1A2TDP1WNT1DYRK1A | |
| SCHEMBL24743112 | 0.68 | RET (0.40) | CYP1A2CYP3A4CYP2C19SMN1; SMN2 | |
| SCHEMBL24741808 | 0.65 | OPRL1 (0.31) | KDM4EHSD17B10ALDH1A1HPGD | |
| SCHEMBL8967264 | 0.65 | PRKCQ (0.47) | LMNA | |
| SCHEMBL24742366 | 0.64 | POLB (0.40) | HSD17B10CYP2C19ALDH1A1LMNAHPGD | |
| SCHEMBL24741802 | 0.63 | KDM4E (0.30) | KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL786098 | 0.61 | CYP1A2 (0.62) | CYP1A2TSHRKDM4ECYP3A4HSD17B10 | |
| SCHEMBL269335 | 0.60 | ALDH1A1 (0.47) | CYP1A2TSHRKDM4ECYP3A4HSD17B10 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022206888-A1 | CDK2 INHIBITORS AND USE THEREOF | QILU REGOR THERAPEUTICS INC. (CN) | 2022-10-06 | — | — | WO | disclosed |