Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.33 |
| ▸ | CPB2 | Q96IY4 | 4/20 | 0.33 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.32 |
| ▸ | AKT1 | P31749 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.32 |
| ▸ | RELA | Q04206 | 1/20 | 0.32 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.31 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.31 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7880112 | 0.90 | HDAC3 (0.33) | HDAC1HDAC3HDAC2NCOR2ALDH1A1 | |
| SCHEMBL6677867 | 0.86 | KDM4E (0.36) | ALDH1A1TSHRHSD17B10GRM2NPC1 | |
| SCHEMBL7880189 | 0.83 | AAK1 (0.34) | TSHRGRM2 | |
| SCHEMBL25399427 | 0.82 | GRM2 (0.35) | HDAC1HDAC3HDAC2NCOR2ALDH1A1 | |
| SCHEMBL6677666 | 0.81 | ESR1 (0.42) | HDAC1HDAC3HDAC2NCOR2ALDH1A1 | |
| SCHEMBL7876745 | 0.80 | ALDH1A1 (0.42) | ALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL6678068 | 0.80 | REN (0.36) | HDAC1HDAC3HDAC2NCOR2CPB2 | |
| SCHEMBL13656744 | 0.75 | NR1D1 (0.40) | HDAC1HDAC3HDAC2NCOR2TSHR | |
| SCHEMBL1626936 | 0.75 | TSHR (0.40) | HDAC1HDAC3HDAC2NCOR2ALDH1A1 | |
| SCHEMBL26256957 | 0.74 | AAK1 (0.33) | TSHRGRM2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6331553-B1 | INHIBITORS OF NITRIC OXIDE SYNTHASE; TREATING CEREBROVASCULAR DISEASES | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2001-12-18 | — | — | US | disclosed |
| EP-0949242-A1 | AROMATIC AMINE DERIVATIVES HAVING NOS INHIBITORY EFFECT | Chugai Seiyaku Kabushiki Kaisha (JP) | 1999-10-13 | — | — | EP | disclosed |