Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABAT | P80404 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.43 |
| ▸ | HTR3A | P46098 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.42 |
| ▸ | APEX1 | P27695 | 3/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | LOXL2 | Q9Y4K0 | 5/20 | 0.41 |
| ▸ | F10 | P00742 | 1/20 | 0.39 |
| ▸ | F11 | P03951 | 1/20 | 0.39 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | RECQL | P46063 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL27466774 | 0.83 | ABAT (0.41) | ABATTAAR1HTR3ATSHRNFKB1 | |
| SCHEMBL4284221 | 0.82 | TAAR1 (0.64) | ABATTAAR1HTR3ATSHRNFKB1 | |
| SCHEMBL27577466 | 0.80 | ABAT (0.46) | ABATTAAR1HTR3ATSHRNFKB1 | |
| Hydrochloric Acid SCHEMBL3669220 | 0.80 | APEX1 (0.65) | ABATTAAR1HTR3ATSHRNFKB1 | |
| SCHEMBL27718584 | 0.78 | ABAT (0.44) | ABATTAAR1HTR3ATSHRNFKB1 | |
| SCHEMBL6612632 | 0.78 | LMNA (0.56) | ABATTAAR1HTR3ATSHRNFKB1 | |
| SCHEMBL27543042 | 0.78 | ABAT (0.44) | ABATTAAR1HTR3ATSHRNFKB1 | |
| SCHEMBL28035877 | 0.78 | ABAT (0.44) | ABATTAAR1HTR3ATSHRNFKB1 | |
| SCHEMBL27983489 | 0.78 | HRH3 (0.41) | ABATTAAR1HTR3ATSHRNFKB1 | |
| SCHEMBL27983184 | 0.78 | HRH3 (0.41) | ABATTAAR1HTR3ATSHRNFKB1 |
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-100384825-C | Benzheterocyclic derivatives | OTSUKA PHARMA CO LTD (JP) | 2008-04-30 | — | — | CN | disclosed |
| CN-1104418-C | Benzoheterocyclic derivatives | OTSUKA PHARMA CO LTD (JP) | 2003-04-02 | — | — | CN | disclosed |
| CN-1150799-A | Benzoheterocyclic derivatives | OTSUKA PHARMA CO LTD (JP) | 1997-05-28 | — | — | CN | disclosed |