Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.68 |
| ▸ | PKM | P14618 | 2/20 | 0.68 |
| ▸ | CTSL | P07711 | 3/20 | 0.67 |
| ▸ | CTSK | P43235 | 3/20 | 0.67 |
| ▸ | CTSB | P07858 | 2/20 | 0.67 |
| ▸ | GBA1 | P04062 | 1/20 | 0.67 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | NSD2 | O96028 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | CCR8 | P51685 | 1/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.48 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.48 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL27923093 | 0.89 | GBA1 (0.68) | ALDH1A1PKMCTSLCTSKCTSB | |
| SCHEMBL14805894 | 0.83 | CTSL (0.62) | ALDH1A1PKMCTSLCTSKCTSB | |
| SCHEMBL2470122 | 0.81 | GBA1 (1.00) | ALDH1A1PKMCTSLCTSKCTSB | |
| SCHEMBL6856492 | 0.81 | CTSK (1.00) | ALDH1A1PKMCTSLCTSKCTSB | |
| SCHEMBL18230036 | 0.81 | NSD2 (0.70) | ALDH1A1PKMCTSLCTSKCTSB | |
| SCHEMBL14532259 | 0.80 | GBA1 (0.58) | ALDH1A1PKMCTSLCTSKCTSB | |
| SCHEMBL14501001 | 0.79 | GBA1 (0.57) | ALDH1A1PKMCTSLCTSKCTSB | |
| SCHEMBL2555072 | 0.79 | KCNH2 (0.49) | ALDH1A1PKMCTSLCTSKCTSB | |
| SCHEMBL27917924 | 0.78 | ALDH1A1 (0.70) | ALDH1A1PKMCTSLCTSKCTSB | |
| SCHEMBL8394068 | 0.78 | GBA1 (0.86) | ALDH1A1PKMCTSLCTSKCTSB |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3134397-A1 | AMINO PYRAZINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS | Novartis AG (CH) | 2017-03-01 | — | — | EP | disclosed |
| US-20170037059-A1 | GYRASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2017-02-09 | — | — | US | disclosed |
| US-9481675-B2 | Gyrase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2016-11-01 | — | — | US | disclosed |
| WO-2015162459-A1 | AMINO PYRAZINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS | NOVARTIS AG (CH) | 2015-10-29 | — | — | WO | disclosed |
| US-20130079323-A1 | GYRASE INHIBITORS | TRIUS THERAPEUTICS, INC. (US) | 2013-03-28 | — | — | 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-20170037059-A1 | GYRASE INHIBITORS | TOP1, CA7, TOP2B | ALDH1A1 2837/4885PKM 3821/4885CTSL 1553/4885 |
| US-20130079323-A1 | GYRASE INHIBITORS | TOP1, CA7, TOP2B | ALDH1A1 2837/4885PKM 3821/4885CTSL 1553/4885 |
“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.