Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 12/20 | 0.93 |
| ▸ | CES1 | P23141 | 12/20 | 0.93 |
| ▸ | TSHR | P16473 | 2/20 | 0.61 |
| ▸ | DAO | P14920 | 1/20 | 0.61 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.61 |
| ▸ | RAB9A | P51151 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.55 |
| ▸ | CA2 | P00918 | 2/20 | 0.55 |
| ▸ | CA4 | P22748 | 2/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | PARP1 | P09874 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | RECQL | P46063 | 1/20 | 0.55 |
| ▸ | BLM | P54132 | 1/20 | 0.55 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| Benzil SCHEMBL7142843 | 0.97 | CES2 (1.00) | CES2CES1TSHRDAONAPRT | |
| Benzil SCHEMBL9517636 | 0.97 | CES2 (1.00) | CES2CES1TSHRDAONAPRT | |
| Benzil SCHEMBL28475956 | 0.97 | CES2 (1.00) | CES2CES1TSHRDAONAPRT | |
| Benzil SCHEMBL66 | 0.97 | CES2 (1.00) | CES2CES1TSHRDAONAPRT | |
| Benzil SCHEMBL2156589 | 0.97 | CES2 (1.00) | CES2CES1TSHRDAONAPRT | |
| Benzil SCHEMBL6031169 | 0.93 | CES2 (0.93) | CES2CES1TSHRDAONAPRT | |
| Benzil SCHEMBL2092789 | 0.93 | CES2 (0.93) | CES2CES1TSHRDAONAPRT | |
| Benzil SCHEMBL11427786 | 0.93 | CES2 (0.93) | CES2CES1TSHRDAONAPRT | |
| Benzil SCHEMBL2227748 | 0.93 | CES2 (0.93) | CES2CES1TSHRDAONAPRT | |
| Benzil SCHEMBL11516323 | 0.93 | CES2 (0.93) | CES2CES1TSHRDAONAPRT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7994169-B2 | By condensation with a 1,2 carbonyl compound such as glyxoal to form ring and then reduction to form the tetrahydropyrido[3,4-b]pyrazine; acylation catalyst for esterification of ethynylcyclohexanol with acetic anhydride | BAYER MATERIALSCIENCE AG (DE) | 2011-08-09 | — | — | US | disclosed |
| US-20080176747-A1 | 3,4-diaminopyridine derivatives | BAYER MATERIALSCIENCE AG (DE) | 2008-07-24 | — | — | 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 (1 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-20080176747-A1 | 3,4-diaminopyridine derivatives | DPYD, QDPR, DDC | CES2 2211/4885CES1 4725/4885TSHR 4361/4885 |
“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.