Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.38 |
| ▸ | DHODH | Q02127 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.37 |
| ▸ | FLT1 | P17948 | 1/20 | 0.36 |
| ▸ | FLT4 | P35916 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.36 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.36 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | P2RX7 | Q99572 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14330649 | 0.82 | CYP11B2 (0.38) | CES2CES1NPC1RAB9ACYP3A4 | |
| SCHEMBL14332118 | 0.80 | CYP3A4 (0.43) | CES2CES1NPC1RAB9AMAPK14 | |
| SCHEMBL14332048 | 0.77 | CES2 (0.42) | CES2CES1NPC1RAB9ACYP11B1 | |
| SCHEMBL14330655 | 0.72 | CES2 (0.42) | CES2CES1NPC1RAB9ACYP3A4 | |
| SCHEMBL14330659 | 0.71 | CES2 (0.40) | CES2CES1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL14330663 | 0.71 | CES2 (0.40) | CES2CES1NPC1RAB9ADHODH | |
| SCHEMBL25962423 | 0.70 | NT5E (0.45) | — | |
| SCHEMBL30106726 | 0.70 | NT5E (0.45) | — | |
| SCHEMBL14330634 | 0.70 | TSHR (0.41) | CYP3A4GAALMNA | |
| SCHEMBL14330635 | 0.70 | CYP3A4 (0.57) | CYP3A4CYP2C9CYP2C19 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2723731-B1 | METALLOENZYME INHIBITOR COMPOUNDS | VIAMET PHARMACEUTICALS INC (US) | 2017-10-25 | — | — | EP | disclosed |
| US-8940735-B2 | Metalloenzyme inhibitor compounds | VIAMET PHARMACEUTICALS, INC. (US) | 2015-01-27 | — | — | US | disclosed |
| US-8940735-B2 | Metalloenzyme inhibitor compounds | VIAMET PHARMACEUTICALS, INC. (US) | 2015-01-27 | — | — | US | disclosed |
| US-8883797-B2 | Metalloenzyme inhibitor compounds | VIAMET PHARMACEUTICALS, INC. (US) | 2014-11-11 | — | — | US | disclosed |
| US-8883797-B2 | Metalloenzyme inhibitor compounds | VIAMET PHARMACEUTICALS, INC. (US) | 2014-11-11 | — | — | US | disclosed |
| US-20130012503-A1 | METALLOENZYME INHIBITOR COMPOUNDS | VIAMET PHARMACEUTICALS, INC. (US) | 2013-01-10 | — | — | US | disclosed |
| US-20130012503-A1 | METALLOENZYME INHIBITOR COMPOUNDS | VIAMET PHARMACEUTICALS, INC. (US) | 2013-01-10 | — | — | US | disclosed |
| WO-2012177725-A1 | METALLOENZYME INHIBITOR COMPOUNDS | VIAMET PHARMACEUTICALS, INC. (US) | 2012-12-27 | — | — | WO | disclosed |
| WO-2012177728-A1 | METALLOENZYME INHIBITOR COMPOUNDS | VIAMET PHARMACEUTICALS, INC. (US) | 2012-12-27 | — | — | WO | disclosed |
| US-20120329802-A1 | METALLOENZYME INHIBITOR COMPOUNDS | VIAMET PHARMACEUTICALS, INC. (US) | 2012-12-27 | — | — | US | disclosed |
| US-20120329802-A1 | METALLOENZYME INHIBITOR COMPOUNDS | VIAMET PHARMACEUTICALS, INC. (US) | 2012-12-27 | — | — | 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-20130012503-A1 | METALLOENZYME INHIBITOR COMPOUNDS | MMEL1, GPX1, MPO | CES2 286/4885CES1 198/4885NPC1 565/4885 |
| US-20120329802-A1 | METALLOENZYME INHIBITOR COMPOUNDS | MMEL1, GPX1, MPO | CES2 286/4885CES1 198/4885NPC1 565/4885 |
“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.