Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 4/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL26026735 | 0.81 | ALDH1A1 (0.43) | MAPTCYP3A4ALDH1A1MEN1KMT2A | |
| SCHEMBL26026737 | 0.81 | ALDH1A1 (0.47) | MAPTALDH1A1MEN1KMT2AHPGD | |
| SCHEMBL4029796 | 0.80 | MAPT (0.50) | MAPTCYP3A4ALDH1A1MEN1CYP2C19 | |
| SCHEMBL6098126 | 0.80 | ALDH1A1 (0.46) | MAPTALDH1A1HPGDLMNASMN1; SMN2 | |
| SCHEMBL2428229 | 0.78 | GNAI3 (0.34) | ALDH1A1TP53SMYD3TSHR | |
| SCHEMBL26614272 | 0.77 | KMT2A (0.44) | MAPTCYP3A4ALDH1A1MEN1KMT2A | |
| SCHEMBL19857334 | 0.75 | CCND1 (0.39) | TP53 | |
| SCHEMBL24474544 | 0.75 | MAPT (0.47) | MAPTCYP3A4ALDH1A1HPGDLMNA | |
| SCHEMBL26343648 | 0.74 | TP53 (0.37) | TP53SMYD3 | |
| SCHEMBL2424959 | 0.71 | CCNE1 (0.33) | TP53SMYD3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022155941-A1 | CDK2 INHIBITORS | QILU REGOR THERAPEUTICS INC. (CN) | 2022-07-28 | — | — | WO | disclosed |
| WO-2022155941-A1 | CDK2 INHIBITORS | QILU REGOR THERAPEUTICS INC. (CN) | 2022-07-28 | — | — | WO | disclosed |