Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 3/20 | 0.44 |
| ▸ | NQO1 | P15559 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | CTSS | P25774 | 4/20 | 0.37 |
| ▸ | CTSK | P43235 | 2/20 | 0.37 |
| ▸ | AR | P10275 | 7/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5020257 | 0.81 | NQO1 (0.51) | NQO1KDM4E | |
| SCHEMBL29372075 | 0.78 | BACE1 (0.36) | NOTUMIDO1KDR | |
| SCHEMBL22401518 | 0.78 | BACE1 (0.36) | NOTUMIDO1KDR | |
| SCHEMBL8745758 | 0.76 | NQO1 (0.50) | NQO1KDM4EALDH1A1TDP1L3MBTL1 | |
| SCHEMBL743391 | 0.69 | NQO1 (0.59) | NQO1KDM4E | |
| SCHEMBL8745729 | 0.69 | NOTUM (0.39) | NOTUMNQO1CTSSKDM4E | |
| SCHEMBL15876559 | 0.69 | NQO1 (0.58) | NQO1KDM4EALDH1A1TDP1L3MBTL1 | |
| SCHEMBL2334041 | 0.68 | NOTUM (0.46) | NOTUMCTSSCTSKARKDR | |
| SCHEMBL14629283 | 0.67 | NQO1 (0.56) | NQO1CTSKKDM4EALDH1A1MAP2K1 | |
| SCHEMBL28014743 | 0.67 | CTSS (0.39) | NOTUMNQO1IDO1CTSSCTSK |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019182743-A1 | COMPOSITIONS FOR THE TREATMENT OF BRAIN TUMORS | INNOCRIN PHARMACEUTICALS, INC. (US) | 2019-09-26 | — | — | WO | disclosed |
| EP-3483147-A1 | METALLOENZYME INHIBITOR COMPOUNDS | Innocrin Pharmaceuticals, Inc. (US) | 2019-05-15 | — | — | EP | disclosed |
| 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 |
| WO-2012064943-A2 | METALLOENZYME INHIBITOR COMPOUNDS | VIAMET PHARMACEUTICALS, INC. (US) | 2012-05-18 | — | — | WO | 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 | NOTUM 1126/4885NQO1 44/4885IDO1 634/4885 |
| US-20180221364-A1 | METALLOENZYME INHIBITOR COMPOUNDS | MMEL1, GPX1, MPO | NOTUM 1126/4885NQO1 44/4885IDO1 634/4885 |
| US-20130184309-A1 | METALLOENZYME INHIBITOR COMPOUNDS | MMEL1, GPX1, MPO | NOTUM 1126/4885NQO1 44/4885IDO1 634/4885 |
| US-20170143694-A1 | METALLOENZYME INHIBITOR COMPOUNDS | MMEL1, GPX1, MPO | NOTUM 1126/4885NQO1 44/4885IDO1 634/4885 |
| US-20120129886-A1 | METALLOENZYME INHIBITOR COMPOUNDS | MMEL1, GPX1, MPO | NOTUM 1126/4885NQO1 44/4885IDO1 634/4885 |
“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.