Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MC4R | P32245 | 1/20 | 0.42 |
| ▸ | MC5R | P33032 | 1/20 | 0.42 |
| ▸ | MC3R | P41968 | 1/20 | 0.42 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.42 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.42 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.42 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3559192 | 0.89 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2TSHRCYP3A4NPSR1 | |
| SCHEMBL4889134 | 0.88 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2TSHRCYP3A4NPSR1 | |
| SCHEMBL3562272 | 0.86 | TSHR (0.50) | ALDH1A1SMN1; SMN2TSHRCYP3A4NPSR1 | |
| SCHEMBL3561195 | 0.86 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2TSHRCYP3A4NPSR1 | |
| SCHEMBL3556105 | 0.85 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2TSHRCYP3A4NPSR1 | |
| SCHEMBL3563503 | 0.85 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2TSHRCYP3A4NPSR1 | |
| SCHEMBL3567257 | 0.84 | ALDH1A1 (0.48) | ALDH1A1SMN1; SMN2TSHRCYP3A4NPSR1 | |
| SCHEMBL1595026 | 0.84 | CYP3A4 (0.51) | ALDH1A1SMN1; SMN2TSHRCYP3A4TAAR1 | |
| SCHEMBL3556098 | 0.84 | ALDH1A1 (0.48) | ALDH1A1SMN1; SMN2TSHRCYP3A4NPSR1 | |
| SCHEMBL3563466 | 0.82 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2TSHRCYP3A4NPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7825256-B2 | Inducible nitric oxide synthase dimerization inhibitors | KALYPSYS, INC. (US) | 2010-11-02 | — | — | US | disclosed |
| EP-1817030-A2 | INDUCIBLE NITRIC OXIDE SYNTHASE DIMERIZATION INHIBITORS | Kalypsys, Inc. (US) | 2007-08-15 | — | — | EP | disclosed |
| WO-2006060424-A2 | INDUCIBLE NITRIC OXIDE SYNTHASE DIMERIZATION INHIBITORS | KALYPSYS, INC. (US) | 2006-06-08 | — | — | WO | disclosed |
| US-20060116515-A1 | Inducible nitric oxide synthase dimerization inhibitors | KALYPSYS, INC. | 2006-06-01 | — | — | 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-20060116515-A1 | Inducible nitric oxide synthase dimerization inhibitors | NOS3, NOS2, NOS1 | ALDH1A1 2795/4885SMN1; SMN2 4446/4885TSHR 788/4885 |
“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.