Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 2/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL30877118 | 0.97 | ALDH1A1 (0.51) | ALDH1A1LMNACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL3127049 | 0.92 | ALDH1A1 (0.56) | ALDH1A1LMNACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL18994885 | 0.91 | ALDH1A1 (0.46) | ALDH1A1LMNACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL9900623 | 0.90 | ALDH1A1 (0.51) | ALDH1A1LMNACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL16467912 | 0.89 | ALDH1A1 (0.50) | ALDH1A1LMNACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL15498167 | 0.88 | CYP1A2 (0.49) | ALDH1A1LMNACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL16468408 | 0.86 | ALDH1A1 (0.51) | ALDH1A1LMNACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL16467937 | 0.85 | LPAR1 (0.44) | ALDH1A1LMNACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL16467927 | 0.85 | SLC2A1 (0.49) | ALDH1A1LMNAMAPTACHESLC2A1 | |
| SCHEMBL6674347 | 0.85 | CYP1A2 (0.54) | ALDH1A1LMNACYP1A2CYP2D6CYP2C9 |
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-4610262-A1 | MACROCYCLIC COMPOUND AS CDK9 INHIBITOR AND USE THEREOF | Artivila Biopharma (CN) | 2025-09-03 | — | — | EP | disclosed |
| CN-117964628-A | Macrocyclic compounds as CDK9 inhibitors and application thereof | 科辉智药生物科技(深圳)有限公司 | 2024-05-03 | — | — | CN | disclosed |