Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | ACHE | P22303 | 2/20 | 0.40 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.38 |
| ▸ | MAOB | P27338 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.34 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.34 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.34 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.34 |
| ▸ | CYP2A7 | P20853 | 1/20 | 0.34 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.34 |
| ▸ | CYP2F1 | P24903 | 1/20 | 0.34 |
| ▸ | CYP2C18 | P33260 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8751846 | 0.93 | KMT2A (0.36) | ALDH1A1ACHEMAOBCYP3A4 | |
| SCHEMBL2636216 | 0.91 | ALDH1A1 (0.58) | ALDH1A1CYP1A1CYP1B1MAOBCYP3A4 | |
| SCHEMBL2978585 | 0.89 | ALDH1A1 (0.39) | ALDH1A1CYP3A4 | |
| SCHEMBL2947790 | 0.83 | ALDH1A1 (0.42) | ALDH1A1CYP1A1CYP1B1MAOBCYP1A2 | |
| SCHEMBL4604583 | 0.81 | ALDH1A1 (0.46) | ALDH1A1ACHECYP1A1CYP1B1MAOB | |
| SCHEMBL12501 | 0.81 | ALDH1A1 (0.73) | ALDH1A1ACHECYP1A1CYP1B1CYP3A4 | |
| SCHEMBL14461578 | 0.80 | ESR1 (0.52) | ALDH1A1ACHECYP1A1CYP1B1MAOB | |
| SCHEMBL4602701 | 0.79 | ALDH1A1 (0.44) | ALDH1A1ACHECYP3A4CYP1A2CYP2D6 | |
| SCHEMBL12128142 | 0.79 | KCNH2 (0.43) | ALDH1A1CYP2A6 | |
| SCHEMBL13095988 | 0.78 | ALDH1A1 (0.48) | ALDH1A1ACHECYP1A1CYP1B1MAOB |
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-9120774-B2 | Novobiocin analogues having modified sugar moieties | UNIVERSITY OF KANSAS (US) | 2015-09-01 | — | — | US | disclosed |
| US-20120252745-A1 | NOVOBIOCIN ANALOGUES HAVING MODIFIED SUGAR MOIETIES | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2012-10-04 | — | — | US | disclosed |
| US-20110082098-A1 | NOVOBIOCIN ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE | UNIVERSITY OF KANSAS (US) | 2011-04-07 | — | — | 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-20120252745-A1 | NOVOBIOCIN ANALOGUES HAVING MODIFIED SUGAR MOIETIES | HSP90AB1, HSP90AB2P, HSP90B1 | ALDH1A1 3066/4885ACHE 4861/4885CYP1A1 3699/4885 |
| US-20110082098-A1 | NOVOBIOCIN ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE | PKD1, PKD2, HSP90B1 | ALDH1A1 4382/4885ACHE 4880/4885CYP1A1 4077/4885 |
“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.