Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 4/20 | 0.44 |
| ▸ | CES1 | P23141 | 4/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | TDO2 | P48775 | 1/20 | 0.39 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29483428 | 0.79 | KDM4D (0.41) | CES2CES1IDO1TDO2 | |
| SCHEMBL1115364 | 0.79 | KDM4D (0.41) | CES2CES1IDO1TDO2 | |
| SCHEMBL5348191 | 0.74 | CES2 (0.64) | CES2CES1IDO1TDO2KCNN4 | |
| SCHEMBL1115202 | 0.74 | CES2 (0.50) | CES2CES1IDO1TDO2KCNN4 | |
| SCHEMBL29658770 | 0.74 | CES2 (0.64) | CES2CES1IDO1TDO2KCNN4 | |
| SCHEMBL22066380 | 0.73 | CES2 (0.46) | CES2CES1IDO1TDO2PKM | |
| SCHEMBL20490917 | 0.73 | CES2 (0.43) | CES2CES1IDO1TDO2PKM | |
| SCHEMBL19200282 | 0.73 | CES2 (0.49) | CES2CES1IDO1TDO2KCNN4 | |
| SCHEMBL30986311 | 0.73 | CES2 (0.49) | CES2CES1IDO1TDO2KCNN4 | |
| SCHEMBL7471753 | 0.73 | CES2 (0.49) | CES2CES1IDO1TDO2KCNN4 |
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-10357493-B2 | Metalloenzyme inhibitor compounds | SELENITY THERAPEUTICS (BERMUDA), LTD. (BM) | 2019-07-23 | — | — | US | disclosed |
| US-20180256572-A1 | METALLOENZYME INHIBITOR COMPOUNDS | VPS-3, INC. (US) | 2018-09-13 | — | — | US | disclosed |
| WO-2018165520-A1 | METALLOENZYME INHIBITOR COMPOUNDS | VPS-3, INC. (US) | 2018-09-13 | — | — | 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 (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-20180256572-A1 | METALLOENZYME INHIBITOR COMPOUNDS | HDAC6, HDAC1, HDAC2 | CES2 1096/4885CES1 699/4885IDO1 2471/4885 |
| US-10357493-B2 | Metalloenzyme inhibitor compounds | HDAC6, HDAC1, HDAC2 | CES2 1096/4885CES1 699/4885IDO1 2471/4885 |
“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.