Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 1/20 | 0.54 |
| ▸ | HTR2C | P28335 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | MET | P08581 | 4/20 | 0.38 |
| ▸ | MST1R | Q04912 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 3/20 | 0.38 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.37 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | OXTR | P30559 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5838441 | 0.76 | CNR1 (0.56) | CNR1HTR2CALDH1A1RAB9ANPC1 | |
| SCHEMBL5839258 | 0.70 | HRH4 (0.42) | CNR1HTR2CALDH1A1RAB9ANPC1 | |
| SCHEMBL5839354 | 0.69 | KDR (0.31) | ALDH1A1RAB9ANPC1SMN1; SMN2MET | |
| SCHEMBL5838894 | 0.67 | HTR2C (0.50) | CNR1HTR2CTP53HRH3KDM4E | |
| SCHEMBL5838421 | 0.67 | HTR2C (0.39) | CNR1HTR2CALDH1A1RAB9ANPC1 | |
| SCHEMBL11388463 | 0.66 | CNR1 (0.77) | CNR1HTR2CALDH1A1RAB9ANPC1 | |
| SCHEMBL4709674 | 0.64 | ALDH1A1 (0.49) | CNR1ALDH1A1RAB9ANPC1TP53 | |
| SCHEMBL12789540 | 0.62 | CNR1 (0.77) | CNR1HTR2CALDH1A1RAB9ANPC1 | |
| SCHEMBL2282590 | 0.62 | MET (0.48) | METMST1RKDR | |
| SCHEMBL4783735 | 0.62 | MET (0.48) | METMST1RKDR |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6995171-B2 | Bicyclic pyrimidine and pyrimidine derivatives useful as anticancer agents | AGOURON PHARMACEUTICALS, INC. (US) | 2006-02-07 | — | — | US | claimed |
| US-20040171590-A1 | Bicyclic pyrimidine and pyrimidine derivatives useful as anticancer agents | AUTRY CHRISTOPHER (US) | 2004-09-02 | — | — | US | claimed |
| WO-2003000194-A2 | THIENOPYRIDINE AND THIENOPYRIMIDINE ANTICANCER AGENTS | PFIZER INC. (US) | 2003-01-03 | — | — | WO | claimed |
| US-6995171-B2 | Bicyclic pyrimidine and pyrimidine derivatives useful as anticancer agents | AGOURON PHARMACEUTICALS, INC. (US) | 2006-02-07 | — | — | US | disclosed |
| US-20040171590-A1 | Bicyclic pyrimidine and pyrimidine derivatives useful as anticancer agents | AUTRY CHRISTOPHER (US) | 2004-09-02 | — | — | US | disclosed |
| WO-2003000194-A2 | THIENOPYRIDINE AND THIENOPYRIMIDINE ANTICANCER AGENTS | PFIZER INC. (US) | 2003-01-03 | — | — | WO | 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-20040171590-A1 | Bicyclic pyrimidine and pyrimidine derivatives useful as anticancer agents | TK1, TYMP, DPYD | CNR1 1120/4885HTR2C 4029/4885ALDH1A1 550/4885 |
“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.