Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | MMP1 | P03956 | 1/20 | 0.45 |
| ▸ | MMP8 | P22894 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.37 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.37 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6850946 | 0.82 | CYP2D6 (0.65) | CYP2D6CYP2C19MMP1MMP8KMT2A | |
| Potassium Ion SCHEMBL6327133 | 0.78 | CYP2D6 (0.54) | CYP2D6CYP2C19MMP1MMP8KMT2A | |
| SCHEMBL10058076 | 0.78 | CYP2D6 (0.54) | CYP2D6CYP2C19MMP1MMP8KMT2A | |
| SCHEMBL15943621 | 0.76 | LMNA (0.38) | CYP2C19KMT2AALDH1A1MEN1KDM4E | |
| SCHEMBL14553257 | 0.76 | CYP2D6 (0.46) | CYP2D6CYP2C19MMP1MMP8KMT2A | |
| SCHEMBL13589522 | 0.75 | CYP2D6 (0.56) | CYP2D6CYP2C19MMP1MMP8KMT2A | |
| SCHEMBL564899 | 0.75 | — | — | |
| SCHEMBL10432669 | 0.75 | CYP2C19 (0.64) | CYP2D6CYP2C19MMP1MMP8KMT2A | |
| SCHEMBL8454947 | 0.74 | — | — | |
| SCHEMBL13588782 | 0.73 | CYP2D6 (0.54) | CYP2D6CYP2C19MMP1MMP8KMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9309237-B2 | HIV inhibitors | NEW YORK BLOOD CENTER, INC. (US) | 2016-04-12 | — | — | US | disclosed |
| US-20140377219-A1 | HIV INHIBITORS | NEW YORK BLOOD CENTER, INC. (US) | 2014-12-25 | — | — | US | disclosed |
| US-20090291902-A1 | INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE | VERTEX PHARMACEUTICALS INCORPORATED | 2009-11-26 | — | — | 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-20140377219-A1 | HIV INHIBITORS | MAVS, CD4, SARS1 | CYP2D6 3423/4885CYP2C19 4180/4885MMP1 4435/4885 |
| US-20090291902-A1 | INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE | PRSS1, SERPINB1, SPINT2 | CYP2D6 590/4885CYP2C19 468/4885MMP1 957/4885 |
“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.