Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.52 |
| ▸ | CA12 | O43570 | 3/20 | 0.52 |
| ▸ | CA2 | P00918 | 3/20 | 0.52 |
| ▸ | CA4 | P22748 | 3/20 | 0.52 |
| ▸ | CA6 | P23280 | 3/20 | 0.52 |
| ▸ | CA5A | P35218 | 3/20 | 0.52 |
| ▸ | CA7 | P43166 | 3/20 | 0.52 |
| ▸ | CA9 | Q16790 | 3/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.52 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | CASP2 | P42575 | 2/20 | 0.52 |
| ▸ | F13A1 | P00488 | 2/20 | 0.52 |
| ▸ | THPO | P40225 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | RECQL | P46063 | 2/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | MAOA | P21397 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL7984820 | 0.98 | CYP1A2 (0.56) | CYP1A2CA12CA2CA4CA6 | |
| SCHEMBL93783 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL16227633 | 0.93 | MAOA (0.54) | CYP1A2CA12CA2CA4CA6 | |
| SCHEMBL28831589 | 0.93 | MAOA (0.54) | CYP1A2CA12CA2CA4CA6 | |
| SCHEMBL7700013 | 0.89 | MAOA (0.67) | CYP1A2CA12CA2CA4CA6 | |
| SCHEMBL163406 | 0.88 | MAOA (0.65) | CYP1A2CA12CA2CA4CA6 | |
| SCHEMBL288829 | 0.86 | MAOA (0.69) | CYP1A2CA12CA2CA4CA6 | |
| SCHEMBL181523 | 0.86 | MAOA (0.69) | CYP1A2CA12CA2CA4CA6 | |
| SCHEMBL13154751 | 0.86 | KMT2A (0.61) | CYP1A2CA12CA2CA4CA6 | |
| SCHEMBL11113096 | 0.86 | MAOA (0.63) | CYP1A2CA12CA2CA4CA6 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160368878-A1 | REDUCTION-TRIGGERED ANTIBACTERIAL SIDEROMYCINS | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2016-12-22 | — | — | US | disclosed |
| US-20160319322-A1 | PATHOGEN DETECTION | UNIVERSITY OF NOTRE DAME DU LAC (US) | 2016-11-03 | — | — | US | disclosed |
| US-20040132707-A1 | Catecholate beta-lactam conjugates, method for producing the same and the use thereof | GRUENENTHAL GMBH (DE) | 2004-07-08 | — | — | US | disclosed |
| EP-1370296-A2 | CATECHOLATE BETA-LACTAM CONJUGATES, METHOD FOR PRODUCING THE SAME AND THE USE THEREOF | Grünenthal GmbH (DE) | 2003-12-17 | — | — | EP | disclosed |
| WO-2002085841-A2 | SUBSTITUTED CATECHOL DERIVATIVES DERIVED FROM POLYBASIC SECONDARY AMINO ACIDS, METHOD FOR PRODUCTION AND USE THEREOF | Grünenthal GmbH (DE) | 2002-10-31 | — | — | WO | disclosed |
| WO-2002070016-A2 | CATECHOLATE BETA-LACTAM CONJUGATES, METHOD FOR PRODUCING THE SAME AND THE USE THEREOF | Grünenthal GmbH (DE) | 2002-09-12 | — | — | 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-20040132707-A1 | Catecholate beta-lactam conjugates, method for producing the same and the use thereof | COMT, CAT, SLC7A11 | CYP1A2 1276/4885CA12 275/4885CA2 774/4885 |
| US-20160368878-A1 | REDUCTION-TRIGGERED ANTIBACTERIAL SIDEROMYCINS | HAMP, SLC40A1, FTH1 | CYP1A2 2004/4885CA12 2253/4885CA2 2848/4885 |
“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.