Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 13/20 | 0.68 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4816467 | 0.88 | AKR1B1 (0.56) | NOS1HSD17B10KDM4EMEN1ALDH1A1 | |
| SCHEMBL14791099 | 0.86 | NOS1 (0.69) | NOS1HSD17B10KDM4EMEN1ALDH1A1 | |
| SCHEMBL12948270 | 0.84 | NOS1 (0.72) | NOS1HSD17B10KDM4EMEN1ALDH1A1 | |
| SCHEMBL1981720 | 0.84 | NOS1 (0.68) | NOS1HSD17B10KDM4EMEN1ALDH1A1 | |
| SCHEMBL21204949 | 0.84 | NOS1 (0.68) | NOS1HSD17B10KDM4EMEN1ALDH1A1 | |
| SCHEMBL9982658 | 0.84 | NOS1 (0.68) | NOS1HSD17B10KDM4EMEN1ALDH1A1 | |
| SCHEMBL1520051 | 0.82 | NOS1 (0.68) | NOS1HSD17B10KDM4EMEN1ALDH1A1 | |
| SCHEMBL28784784 | 0.82 | NOS1 (0.64) | NOS1HSD17B10KDM4EMEN1ALDH1A1 | |
| SCHEMBL10618579 | 0.82 | NOS1 (0.68) | NOS1HSD17B10KDM4EMEN1ALDH1A1 | |
| SCHEMBL16980943 | 0.81 | NOS1 (0.67) | NOS1HSD17B10KDM4EMEN1ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1432713-A4 | FUSED PYRIMIDINE DHFR INHIBITORS AS ANTIBACTERIALS | ESSENTIAL THERAPEUTICS INC (US) | 2005-05-11 | — | — | EP | disclosed |
| EP-1432713-A2 | FUSED PYRIMIDINE DHFR INHIBITORS AS ANTIBACTERIALS | Essential Therapeutics, Inc. (US) | 2004-06-30 | — | — | EP | disclosed |
| US-20030176436-A1 | Novel heterocyclic compounds as selective bacterial DHFR inhibitors and their uses thereof | ALA PAUL J (DE) | 2003-09-18 | — | — | US | disclosed |
| WO-2003002064-A2 | FUSED PYRIMIDINE DHFR INHIBITORS AS ANTIBACTERIALS | ESSENTIAL THERAPEUTICS, INC. (US) | 2003-01-09 | — | — | 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 (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-20030176436-A1 | Novel heterocyclic compounds as selective bacterial DHFR inhibitors and their uses thereof | DHFR, DHODH, DPYD | NOS1 1340/4885HSD17B10 289/4885KDM4E 1009/4885 |
“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.