Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.32 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.32 |
| ▸ | RELA | Q04206 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | BUB1 | O43683 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 2/20 | 0.30 |
| ▸ | ATM | Q13315 | 1/20 | 0.30 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29882398 | 0.82 | KDM1A (0.39) | KDM1AGRIN2BGRIN2CALDH1A1MAPT | |
| SCHEMBL23608365 | 0.82 | KDM1A (0.39) | KDM1AGRIN2BGRIN2CALDH1A1MAPT | |
| SCHEMBL479856 | 0.75 | KDM1A (0.43) | KDM1AGRIN2BGRIN2CALDH1A1MAPT | |
| SCHEMBL21408124 | 0.70 | KDM1A (0.41) | KDM1AALDH1A1MAPTBUB1LMNA | |
| SCHEMBL16903459 | 0.68 | TSHR (0.36) | ALDH1A1MAPTLMNATSHRUSP2 | |
| SCHEMBL3733424 | 0.68 | KDM1A (0.42) | KDM1AGRIN2BGRIN2CALDH1A1MAPT | |
| SCHEMBL31498912 | 0.68 | NR1H2 (0.34) | KDM1AGRIN2BGRIN2CBUB1NR1H2 | |
| SCHEMBL17459686 | 0.68 | BRD4 (0.35) | GRIN2BGRIN2CNFKB1NFKB2RELA | |
| SCHEMBL23609353 | 0.68 | NR1H2 (0.34) | KDM1AGRIN2BGRIN2CBUB1NR1H2 | |
| SCHEMBL17459688 | 0.68 | BRD4 (0.35) | GRIN2BGRIN2CNFKB1NFKB2RELA |
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 |
|---|---|---|---|---|---|---|---|
| US-20240018157-A1 | CYCLIC COMPOUNDS AND METHODS OF USING SAME | SCHRÖDINGER, INC. | 2024-01-18 | — | — | US | disclosed |
| US-20240018157-A1 | CYCLIC COMPOUNDS AND METHODS OF USING SAME | SCHRÖDINGER, INC. | 2024-01-18 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20240018157-A1 | CYCLIC COMPOUNDS AND METHODS OF USING SAME | MALT1, FKBP1B, FKBP1A | KDM1A 1462/4885GRIN2B 4486/4885GRIN2C 4447/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.