Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 7/20 | 0.64 |
| ▸ | CYP1A1 | P04798 | 6/20 | 0.55 |
| ▸ | CYP1B1 | Q16678 | 6/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.55 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.48 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.48 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | TNKS | O95271 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL535362 | 0.83 | CYP1A1 (0.68) | MAOBCYP1A1CYP1B1CYP1A2ABCB1 | |
| SCHEMBL4041393 | 0.80 | MAPT (0.51) | MAOBCYP1A1CYP1B1CYP1A2ABCB1 | |
| SCHEMBL13797838 | 0.80 | MAPT (0.51) | MAOBCYP1A1CYP1B1CYP1A2ABCB1 | |
| SCHEMBL4041398 | 0.80 | MAPT (0.51) | MAOBCYP1A1CYP1B1CYP1A2ABCB1 | |
| SCHEMBL24533215 | 0.72 | ALDH1A1 (0.44) | MAOBCYP1A1CYP1B1CYP1A2KDM4E | |
| SCHEMBL1742227 | 0.70 | CYP1A1 (0.73) | MAOBCYP1A1CYP1B1CYP1A2ABCB1 | |
| SCHEMBL13990268 | 0.69 | EGFR (0.65) | MAOBABCB1ABCG2KDM4EMAPT | |
| SCHEMBL21801178 | 0.69 | CYP1A1 (0.67) | MAOBCYP1A1CYP1B1CYP1A2ABCB1 | |
| SCHEMBL9550456 | 0.67 | NTRK1 (0.56) | MAOBCYP1A1CYP1B1CYP1A2ABCB1 | |
| SCHEMBL14266179 | 0.67 | ALDH1A1 (0.59) | KDM4EMAPTALDH1A1HPGDSMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7547794-B2 | Compositions useful as inhibitors of protein kinases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-06-16 | — | — | US | disclosed |
| EP-1615906-A1 | COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES | Vertex Pharmaceuticals Incorporated (US) | 2006-01-18 | — | — | EP | disclosed |
| WO-2004092154-A1 | COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2004-10-28 | — | — | WO | disclosed |
| US-20040198750-A1 | Compositions useful as inhibitors of protein kinases | VERTEX PHARMACEUTICALS INCORPORATED | 2004-10-07 | — | — | 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-20040198750-A1 | Compositions useful as inhibitors of protein kinases | MAP3K20, MAP3K6, PACSIN2 | MAOB 3049/4885CYP1A1 4827/4885CYP1B1 4584/4885 |
“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.