Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | PKM | P14618 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 4/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.50 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 4/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL10001177 | 0.81 | CYP1A2 (0.53) | GAACYP1A2CYP2C9CYP2C19HPGD | |
| SCHEMBL11490562 | 0.81 | GAA (0.46) | GAACYP1A2CYP2C9PKMCYP2C19 | |
| SCHEMBL11475445 | 0.81 | GAA (0.46) | GAACYP1A2CYP2C9PKMCYP2C19 | |
| SCHEMBL11513352 | 0.81 | HPGD (0.45) | GAACYP1A2CYP2C9PKMCYP2C19 | |
| Chloromethane SCHEMBL28012983 | 0.80 | CYP1A2 (0.72) | GAACYP1A2CYP2C9PKMCYP2C19 | |
| SCHEMBL127395 | 0.79 | CYP1A2 (0.78) | GAACYP1A2CYP2C9PKMCYP2C19 | |
| SCHEMBL43054 | 0.79 | CYP1A2 (0.78) | GAACYP1A2CYP2C9PKMCYP2C19 | |
| Benzene SCHEMBL27779381 | 0.79 | CYP1A2 (0.78) | GAACYP1A2CYP2C9PKMCYP2C19 | |
| SCHEMBL473828 | 0.79 | CYP1A2 (0.78) | GAACYP1A2CYP2C9PKMCYP2C19 | |
| SCHEMBL11300616 | 0.79 | L3MBTL1 (0.41) | GAACYP1A2CYP2C9PKMCYP2C19 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8883766-B2 | Ion channel modulators and methods of use | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-11-11 | — | — | US | disclosed |
| US-20120208790-A1 | ION CHANNEL MODULATORS AND METHODS OF USE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-08-16 | — | — | US | disclosed |
| US-8193194-B2 | Ion channel modulators and methods of use | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-06-05 | — | — | US | disclosed |
| US-7645771-B2 | CCR5 antagonists as therapeutic agents | SMITHKLINE BEECHAM CORP. (US) | 2010-01-12 | — | — | US | disclosed |
| US-20080293737-A1 | ION CHANNEL MODULATORS AND METHODS OF USE | VERTEX PHARMACEUTICALS INCORPORATED | 2008-11-27 | — | — | 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 (2 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-20120208790-A1 | ION CHANNEL MODULATORS AND METHODS OF USE | CACNA1G, CACNA1C, CACNA1B | GAA 2936/4885CYP1A2 3827/4885CYP2C9 2739/4885 |
| US-20080293737-A1 | ION CHANNEL MODULATORS AND METHODS OF USE | CACNA1G, CACNA1C, CACNA1B | GAA 2936/4885CYP1A2 3827/4885CYP2C9 2739/4885 |
“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.