Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | PDE2A | O00408 | 1/20 | 0.48 |
| ▸ | PDE5A | O76074 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.48 |
| ▸ | APEX1 | P27695 | 1/20 | 0.48 |
| ▸ | PDE4A | P27815 | 1/20 | 0.48 |
| ▸ | BLM | P54132 | 1/20 | 0.48 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.48 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.48 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.48 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.48 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.48 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.48 |
| ▸ | PDE7B | Q9NP56 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL27552525 | 0.88 | CYP1A2 (0.49) | ALDH1A1TDP1CYP3A4ALOX15MAPT | |
| SCHEMBL27493611 | 0.85 | ALDH1A1 (0.60) | ALDH1A1MAPTCYP1A2HTTTP53 | |
| SCHEMBL27495220 | 0.84 | HSD17B10 (0.51) | ALDH1A1TSHRCYP3A4NFKB1PMP22 | |
| SCHEMBL27479550 | 0.84 | ALDH1A1 (0.49) | ALDH1A1TDP1CYP3A4ALOX15MAPT | |
| SCHEMBL27495218 | 0.84 | MAPT (0.58) | ALDH1A1CYP3A4MAPTCYP1A2LMNA | |
| SCHEMBL27544100 | 0.81 | TP53 (0.52) | ALDH1A1CYP1A2HTTTP53KMT2A | |
| SCHEMBL27479548 | 0.81 | HCAR3 (0.49) | ALDH1A1CYP3A4MAPTCYP1A2LMNA | |
| SCHEMBL502270 | 0.81 | CYP1A2 (0.64) | ALDH1A1TDP1TSHRCYP3A4PDE2A | |
| SCHEMBL6681036 | 0.80 | ALDH1A1 (0.45) | ALDH1A1TDP1TSHRCYP3A4PDE2A | |
| SCHEMBL2173166 | 0.80 | ALDH1A1 (0.58) | ALDH1A1TDP1TSHRCYP3A4PDE2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1075808-C | Aniline derivatives having nitric oxide synthase inhibitory activity | CHUGAI PHARMACEUTICAL CO LTD (JP) | 2001-12-05 | — | — | CN | disclosed |
| CN-1310169-A | Anils with nitric oxide synzyme inhibiting function | SHUGAI SEIYAKU K K (JP) | 2001-08-29 | — | — | CN | disclosed |
| CN-1172473-A | Aniline derivatives having nitric oxide synthase inhibitory activity | CHUGAI PHARMACEUTICAL CO LTD (JP) | 1998-02-04 | — | — | CN | disclosed |