Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.44 |
| ▸ | TRAP1 | Q12931 | 2/20 | 0.44 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.43 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6942607 | 0.87 | CYP3A4 (0.45) | ALDH1A1HSD17B10LTB4RPOLBSMN1; SMN2 | |
| SCHEMBL6943670 | 0.86 | SMN1; SMN2 (0.42) | ALDH1A1HSD17B10HSP90AA1TRAP1LTB4R | |
| SCHEMBL6942102 | 0.84 | ALDH1A1 (0.46) | ALDH1A1HSD17B10LTB4RCYP2D6SLC6A2 | |
| SCHEMBL6944624 | 0.84 | SMN1; SMN2 (0.49) | ALDH1A1HSD17B10POLBSMN1; SMN2CYP3A4 | |
| SCHEMBL6944820 | 0.84 | PDE5A (0.47) | ALDH1A1SMN1; SMN2CYP2D6LMNAMAPT | |
| SCHEMBL6947146 | 0.81 | SMN1; SMN2 (0.49) | ALDH1A1HSD17B10POLBSMN1; SMN2CYP3A4 | |
| SCHEMBL28066233 | 0.81 | ALDH1A1 (0.48) | ALDH1A1HSD17B10HSP90AA1LTB4RCYP2D6 | |
| SCHEMBL6939968 | 0.81 | ALDH1A1 (0.51) | ALDH1A1HSD17B10LTB4RSMN1; SMN2CYP2D6 | |
| SCHEMBL6946295 | 0.77 | MAOB (0.50) | ALDH1A1POLBKDM4EHTT | |
| SCHEMBL6942688 | 0.77 | SMN1; SMN2 (0.46) | ALDH1A1HSD17B10LTB4RSMN1; SMN2CYP2D6 |
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-1268471-B1 | N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS | SCHERING AG (DE) | 2003-10-15 | — | — | EP | disclosed |
| US-6525051-B2 | N-heterocyclic derivatives as NOS inhibitors | SCHERING AKTIENGESELLSCHAFT (DE) | 2003-02-25 | — | — | US | disclosed |
| EP-1268471-A1 | N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS | SCHERING AKTIENGESELLSCHAFT (DE) | 2003-01-02 | — | — | EP | disclosed |
| US-20020010190-A1 | N-heterocyclic derivatives as NOS inhibitors | SCHERING AKTIENGESELLSCHAFT (DE) | 2002-01-24 | — | — | US | disclosed |
| WO-2001072744-A1 | N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS | SCHERING AKTIENGESELLSCHAFT (DE) | 2001-10-04 | — | — | 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-20020010190-A1 | N-heterocyclic derivatives as NOS inhibitors | NOS1, NOS3, NOS2 | ALDH1A1 573/4885HSD17B10 692/4885HSP90AA1 3459/4885 |
“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.