Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.41 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | TOP2A | P11388 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL15096231 | 0.81 | P2RX7 (0.44) | ALDH1A1CYP1A2CYP2C19HTTKMT2A | |
| SCHEMBL15096232 | 0.81 | P2RX7 (0.44) | ALDH1A1CYP1A2CYP2C19KDM4EHTT | |
| SCHEMBL19930565 | 0.81 | ALDH1A1 (0.51) | ALDH1A1CYP1A2CYP2C19KDM4EHTT | |
| SCHEMBL4260290 | 0.81 | KMT2A (0.59) | ALDH1A1KDM4EHTTEPHX2SMN1; SMN2 | |
| SCHEMBL17108526 | 0.80 | ALDH1A1 (0.46) | ALDH1A1CYP1A2CYP2C19KDM4EHTT | |
| SCHEMBL21707783 | 0.78 | CES2 (0.45) | ALDH1A1KDM4EHTTCES2CES1 | |
| SCHEMBL16429529 | 0.77 | ALDH1A1 (0.50) | ALDH1A1CYP1A2CYP2C19KDM4EHTT | |
| SCHEMBL24141751 | 0.76 | ALDH1A1 (0.46) | ALDH1A1CYP1A2CYP2C19KDM4EHTT | |
| SCHEMBL31431959 | 0.74 | ALDH1A1 (0.52) | ALDH1A1KDM4EHTTCES2CES1 | |
| SCHEMBL20751787 | 0.73 | CES2 (0.48) | ALDH1A1KDM4ECES2CES1SMN1; SMN2 |
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-8975232-B2 | Macrocyclic kinase inhibitors and uses thereof | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2015-03-10 | — | — | US | disclosed |
| US-20130178429-A1 | MACROCYCLIC KINASE INHIBITORS AND USES THEREOF | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2013-07-11 | — | — | 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-20130178429-A1 | MACROCYCLIC KINASE INHIBITORS AND USES THEREOF | MAP3K20, MAP3K11, MAP3K1 | ALDH1A1 3932/4885CYP1A2 2252/4885CYP2C19 1823/4885 |
“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.