Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALM1 | P0DP23 | 3/20 | 0.47 |
| ▸ | ESR1 | P03372 | 2/20 | 0.47 |
| ▸ | AHR | P35869 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | NQO1 | P15559 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | ABL1 | P00519 | 1/20 | 0.37 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.37 |
| ▸ | BCR | P11274 | 1/20 | 0.37 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8216069 | 0.87 | ALDH1A1 (0.58) | CALM1ALDH1A1CYP19A1TSHRMAPK1 | |
| SCHEMBL13485083 | 0.85 | ALDH1A1 (0.61) | CALM1ESR1AHRALDH1A1NQO1 | |
| SCHEMBL13074291 | 0.85 | ALDH1A1 (0.61) | CALM1ESR1AHRALDH1A1NQO1 | |
| SCHEMBL13189262 | 0.83 | CALM1 (0.50) | CALM1ESR1AHRALDH1A1NQO1 | |
| SCHEMBL8264227 | 0.80 | CALM1 (0.47) | CALM1ESR1AHRALDH1A1NQO1 | |
| SCHEMBL13490528 | 0.80 | CALM1 (0.51) | CALM1ESR1AHRALDH1A1NQO1 | |
| SCHEMBL8237574 | 0.79 | ALDH1A1 (0.39) | CALM1AHRALDH1A1CYP19A1MAPK1 | |
| SCHEMBL13586643 | 0.77 | ESR1 (0.49) | CALM1ESR1AHRALDH1A1NQO1 | |
| SCHEMBL14461578 | 0.77 | ESR1 (0.52) | CALM1ESR1AHRALDH1A1NQO1 | |
| SCHEMBL10724491 | 0.76 | PTGS2 (0.65) | CALM1ESR1AHRPTGS2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2006074924-A1 | 3,4,(5)-SUBSTITUTED TETRAHVDROPYRIDINES | NOVARTIS AG (CH) | 2006-07-20 | — | — | WO | disclosed |