Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.38 |
| ▸ | BCHE | P06276 | 2/20 | 0.36 |
| ▸ | ACHE | P22303 | 2/20 | 0.36 |
| ▸ | THRB | P10828 | 3/20 | 0.36 |
| ▸ | THRA | P10827 | 2/20 | 0.36 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SCN1A | P35498 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.34 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6232233 | 0.80 | THRA (0.43) | CYP1A2CYP2C9CYP2C19THRBTHRA | |
| SCHEMBL399177 | 0.77 | CYP3A4 (0.47) | TSHRKDM4EALDH1A1L3MBTL1ALOX15 | |
| SCHEMBL10269779 | 0.76 | THRA (0.48) | CYP1A2CYP2C9CYP2C19THRBTHRA | |
| SCHEMBL12824961 | 0.76 | MAPK1 (0.41) | TSHRMAPTMEN1ALDH1A1KMT2A | |
| SCHEMBL8943023 | 0.76 | CYP1A2 (0.42) | CYP1A2CYP2C9CYP2C19S1PR1BCHE | |
| SCHEMBL15788383 | 0.75 | ALOX5AP (0.50) | S1PR1TSHRMAPTL3MBTL1HTR2C | |
| SCHEMBL13262375 | 0.75 | HTR2A (0.44) | CYP1A2CYP2C9CYP2C19S1PR1PTGDR2 | |
| SCHEMBL14850371 | 0.74 | PTGDR2 (0.50) | S1PR1THRBTHRAMAPTMEN1 | |
| SCHEMBL17354126 | 0.74 | PTGDR2 (0.47) | CYP1A2CYP2C9CYP2C19MAPTALDH1A1 | |
| SCHEMBL10352006 | 0.74 | THRA (0.52) | CYP1A2CYP2C9CYP2C19S1PR1THRB |
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-20140163011-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-06-12 | — | — | 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-20140163011-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | CFTR, ABCB1, ABCC2 | CYP1A2 2537/4885CYP2C9 2728/4885CYP2C19 3102/4885 |
“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.