Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | CDK4 | P11802 | 6/20 | 0.43 |
| ▸ | CCND1 | P24385 | 6/20 | 0.43 |
| ▸ | CCNE2 | O96020 | 4/20 | 0.43 |
| ▸ | CCNE1 | P24864 | 4/20 | 0.43 |
| ▸ | CDK2 | P24941 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | PGR | P06401 | 1/20 | 0.43 |
| ▸ | RORA | P35398 | 1/20 | 0.43 |
| ▸ | RORC | P51449 | 1/20 | 0.43 |
| ▸ | RORB | Q92753 | 1/20 | 0.43 |
| ▸ | PIM3 | Q86V86 | 3/20 | 0.43 |
| ▸ | PIM1 | P11309 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6518602 | 0.93 | AURKA (0.41) | TSHRCDK4CCND1ALDH1A1HPGD | |
| SCHEMBL6515436 | 0.88 | CHEK1 (0.51) | ALDH1A1HPGDPOLBPGRRORA | |
| SCHEMBL6514910 | 0.85 | CHEK1 (0.49) | TSHRALDH1A1HPGDPOLBPGR | |
| SCHEMBL21067780 | 0.83 | CYP1A2 (0.48) | ALDH1A1HPGDPGRKDM4ELMNA | |
| SCHEMBL6508661 | 0.83 | TOP2A (0.53) | CDK4CCND1PIM3KDM4ETDP1 | |
| Hydrochloric Acid SCHEMBL6518743 | 0.82 | TOP2A (0.52) | CDK4CCND1PIM3KDM4EAURKA | |
| SCHEMBL6510553 | 0.82 | PLK1 (0.47) | ALDH1A1POLBKDM4EPKMTDP1 | |
| SCHEMBL6514357 | 0.81 | ALDH1A1 (0.44) | ALDH1A1HPGDPOLBKDM4ELMNA | |
| SCHEMBL6518571 | 0.81 | HDAC3 (0.41) | HPGDPOLBPGRRORARORC | |
| SCHEMBL6508709 | 0.81 | GAA (0.42) | ALDH1A1HPGDPOLBPGRRORA |
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 |
|---|---|---|---|---|---|---|---|
| US-20050245563-A1 | Chk-1 inhibitors | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2005-11-03 | — | — | 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-20050245563-A1 | Chk-1 inhibitors | CHKA, CHKB, CHEK1 | TSHR 4004/4885CDK4 423/4885CCND1 2282/4885 |
“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.