Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.38 |
| ▸ | ABL1 | P00519 | 5/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | PTGES | O14684 | 1/20 | 0.37 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.36 |
| ▸ | TCF7L2 | Q9NQB0 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9944985 | 0.88 | KDR (0.35) | CYP1A2CYP3A4CYP2D6CYP2C19KDM4E | |
| SCHEMBL9946621 | 0.80 | PTGES (0.48) | ABL1MAPTLMNAMEN1KMT2A | |
| SCHEMBL9946625 | 0.80 | SPR (0.39) | — | |
| SCHEMBL9944984 | 0.75 | MAPT (0.40) | MAPTLMNAMEN1KMT2ANPC1 | |
| SCHEMBL9944975 | 0.70 | HSD17B10 (0.40) | KDM4EMAPTLMNAMEN1KMT2A | |
| SCHEMBL9945001 | 0.68 | — | — | |
| SCHEMBL9946597 | 0.66 | MAPT (0.48) | ABL1MAPTPTGES | |
| SCHEMBL9946856 | 0.66 | MAPT (0.53) | KDM4EABL1MAPTLMNAPTGES | |
| SCHEMBL9946656 | 0.66 | PTGES (0.48) | KDM4EABL1MAPTNPC1PTGES | |
| SCHEMBL17343027 | 0.65 | THRB (0.53) | KDM4EABL1MAPTMEN1KMT2A |
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-8674113-B2 | Compounds | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-03-18 | — | — | US | disclosed |
| US-20120149676-A1 | NOVEL COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-06-14 | — | — | 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-20120149676-A1 | NOVEL COMPOUNDS | PTGS1, PTGER1, PTGES | CYP1A2 52/4885CYP3A4 407/4885CYP2D6 60/4885 |
“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.