Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.32 |
| ▸ | GRM5 | P41594 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.32 |
| ▸ | TNF | P01375 | 2/20 | 0.32 |
| ▸ | CTSB | P07858 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | SOS2 | Q07890 | 1/20 | 0.31 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.30 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.30 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.30 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11986214 | 0.80 | NQO1 (0.41) | NQO1KDM4EALDH1A1CTSBPOLB | |
| SCHEMBL8745771 | 0.79 | ESR1 (0.51) | NQO1KDM4EGRM5KCNH2ALDH1A1 | |
| SCHEMBL14573267 | 0.76 | ALDH1A1 (0.51) | KDM4EALDH1A1ESR1ESR2LMNA | |
| SCHEMBL25873382 | 0.76 | NQO1 (0.40) | NQO1KDM4EALDH1A1CTSBSMN1; SMN2 | |
| SCHEMBL25314520 | 0.75 | NQO2 (0.44) | NQO1POLB | |
| SCHEMBL24206916 | 0.74 | NQO1 (0.39) | NQO1ALDH1A1CTSB | |
| SCHEMBL2981097 | 0.74 | NQO1 (0.38) | NQO1KDM4EALDH1A1SOS2LMNA | |
| SCHEMBL29560656 | 0.74 | NQO1 (0.38) | NQO1KDM4EALDH1A1SOS2LMNA | |
| SCHEMBL16914971 | 0.73 | L3MBTL1 (0.44) | NQO1KDM4EALDH1A1 | |
| SCHEMBL14573271 | 0.73 | KDM4E (0.42) | KDM4EALDH1A1ESR1ESR2LMNA |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180221364-A1 | METALLOENZYME INHIBITOR COMPOUNDS | INNOCRIN PHARMACEUTICALS, INC. | 2018-08-09 | — | — | US | disclosed |
| US-20170143694-A1 | METALLOENZYME INHIBITOR COMPOUNDS | INNOCRIN PHARMACEUTICALS, INC. | 2017-05-25 | — | — | US | disclosed |
| US-20140121248-A1 | METALLOENZYME INHIBITOR COMPOUNDS | VIAMET PHARMACEUTICALS, INC. (US) | 2014-05-01 | — | — | US | disclosed |
| US-8623892-B2 | Metalloenzyme inhibitor compounds | VIAMET PHARMACEUTICALS, INC. (US) | 2014-01-07 | — | — | US | disclosed |
| US-20130184309-A1 | METALLOENZYME INHIBITOR COMPOUNDS | VIAMET PHARMACEUTICALS, INC. (US) | 2013-07-18 | — | — | US | disclosed |
| US-8389543-B2 | Metalloenzyme inhibitor compounds | VIAMET PHARMACEUTICALS, INC. (US) | 2013-03-05 | — | — | US | disclosed |
| US-20120129886-A1 | METALLOENZYME INHIBITOR COMPOUNDS | VIAMET PHARMACEUTICALS, INC. (US) | 2012-05-24 | — | — | 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 (5 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-20140121248-A1 | METALLOENZYME INHIBITOR COMPOUNDS | MMEL1, GPX1, MPO | NQO1 44/4885KDM4E 3322/4885GRM5 1351/4885 |
| US-20180221364-A1 | METALLOENZYME INHIBITOR COMPOUNDS | MMEL1, GPX1, MPO | NQO1 44/4885KDM4E 3322/4885GRM5 1351/4885 |
| US-20130184309-A1 | METALLOENZYME INHIBITOR COMPOUNDS | MMEL1, GPX1, MPO | NQO1 44/4885KDM4E 3322/4885GRM5 1351/4885 |
| US-20170143694-A1 | METALLOENZYME INHIBITOR COMPOUNDS | MMEL1, GPX1, MPO | NQO1 44/4885KDM4E 3322/4885GRM5 1351/4885 |
| US-20120129886-A1 | METALLOENZYME INHIBITOR COMPOUNDS | MMEL1, GPX1, MPO | NQO1 44/4885KDM4E 3322/4885GRM5 1351/4885 |
“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.