Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 2/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.30 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL18989196 | 0.75 | HTR2C (0.36) | CA12CA2CA9 | |
| SCHEMBL23190235 | 0.75 | HTR2C (0.36) | ALDH1A1CYP3A4TSHR | |
| SCHEMBL29387054 | 0.69 | KDM4E (0.39) | PDK2 | |
| SCHEMBL23671508 | 0.67 | MAPT (0.35) | ALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL7086115 | 0.67 | KDM4E (0.38) | PDK2 | |
| SCHEMBL28056042 | 0.67 | KDM4E (0.38) | PDK2 | |
| SCHEMBL27414073 | 0.67 | KDM4E (0.38) | PDK2 | |
| SCHEMBL2012004 | 0.67 | HIF1A (0.46) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL29647889 | 0.67 | ALDH1A1 (0.38) | ALDH1A1CASP1CYP3A4TSHRPDE10A | |
| SCHEMBL8970935 | 0.67 | ALDH1A1 (0.38) | ALDH1A1CASP1CYP3A4TSHRPDE10A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1085009-B1 | INDAN DERIVATIVES | NISSAN CHEMICAL IND LTD (JP) | 2004-11-10 | — | — | EP | disclosed |
| US-6486178-B1 | Indane derivatives | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2002-11-26 | — | — | US | disclosed |
| EP-1085009-A1 | INDAN DERIVATIVES | Nissan Chemical Industries, Ltd. (JP) | 2001-03-21 | — | — | EP | disclosed |
| WO-1994014801-A1 | HETEROCYCLIC UREA DERIVATIVES AS 5HT2C AND 5HT2B ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1994-07-07 | — | — | WO | disclosed |