Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 2/20 | 0.45 |
| ▸ | CRHBP | P24387 | 2/20 | 0.42 |
| ▸ | CRHR2 | Q13324 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | MMP2 | P08253 | 3/20 | 0.38 |
| ▸ | MMP9 | P14780 | 3/20 | 0.38 |
| ▸ | MMP8 | P22894 | 2/20 | 0.38 |
| ▸ | MMP13 | P45452 | 2/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | MPI | P34949 | 1/20 | 0.36 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.36 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7127770 | 0.95 | TYMS (0.46) | TYMSCRHBPCRHR2TDP1MMP2 | |
| SCHEMBL7118969 | 0.89 | TYMS (0.49) | TYMSCRHBPCRHR2TDP1CYP1B1 | |
| SCHEMBL7119781 | 0.82 | TYMS (0.52) | TYMSCRHBPCRHR2TDP1CYP1B1 | |
| SCHEMBL5655012 | 0.79 | MMP2 (0.40) | CRHBPCRHR2TDP1MMP2MMP9 | |
| SCHEMBL10623075 | 0.77 | MMP2 (0.50) | MMP2MMP9MMP8MMP13ALDH1A1 | |
| SCHEMBL1514252 | 0.76 | APEX1 (0.57) | TYMSCRHBPCRHR2PARP1ALDH1A1 | |
| SCHEMBL7120056 | 0.73 | CRHBP (0.45) | TYMSCRHBPCRHR2PARP1ALDH1A1 | |
| SCHEMBL30655466 | 0.71 | APEX1 (0.48) | TDP1MMP2MMP9MMP8MMP13 | |
| SCHEMBL83466 | 0.71 | APEX1 (0.48) | TDP1MMP2MMP9MMP8MMP13 | |
| SCHEMBL8805945 | 0.71 | KCNQ2 (0.47) | TYMSCRHBPCRHR2CYP1B1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6667303-B1 | Agonists for serotonin 5-hydroxytryptamine 2C(5HT2C) receptor; 6-(1,4-diazepan-1-yl)benzo(cd)indol-2(1H)-ones, 6-(1,4-diazepan-1-yl)acenaphthylen-1(2H)-ones, and 5-(1,4-diazepan-1-yl)- 2H-naphtho(1,8-cd)isothiazole-1,1-dioxides | WYETH | 2003-12-23 | — | — | US | disclosed |