Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | VCAM1 | P19320 | 3/20 | 0.45 |
| ▸ | RAD51 | Q06609 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | PTPRC | P08575 | 1/20 | 0.40 |
| ▸ | S100A4 | P26447 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | PGR | P06401 | 1/20 | 0.39 |
| ▸ | PDE2A | O00408 | 1/20 | 0.39 |
| ▸ | PDE5A | O76074 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | APEX1 | P27695 | 1/20 | 0.39 |
| ▸ | PDE4A | P27815 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7112567 | 0.84 | ALDH1A1 (0.50) | ALDH1A1TDP1TSHRCYP3A4VCAM1 | |
| SCHEMBL30683694 | 0.80 | ALDH1A1 (0.72) | ALDH1A1TDP1TSHRCYP3A4MAPT | |
| SCHEMBL7112800 | 0.80 | AKR1C3 (0.49) | ALDH1A1TDP1TSHRCYP3A4VCAM1 | |
| SCHEMBL11723636 | 0.78 | CA12 (0.46) | ALDH1A1TDP1TSHRMAPTLMNA | |
| SCHEMBL11723618 | 0.78 | MEN1 (0.51) | ALDH1A1TDP1TSHRMAPTLMNA | |
| SCHEMBL12797368 | 0.77 | ALDH1A1 (0.58) | ALDH1A1TDP1TSHRCYP3A4MAPT | |
| SCHEMBL12797359 | 0.77 | ALDH1A1 (0.59) | ALDH1A1TDP1TSHRCYP3A4MAPT | |
| SCHEMBL14565383 | 0.76 | TSHR (0.60) | ALDH1A1TDP1TSHRCYP3A4MAPT | |
| SCHEMBL2649980 | 0.74 | MEN1 (0.51) | ALDH1A1TDP1CYP3A4VCAM1RAD51 | |
| SCHEMBL2154193 | 0.73 | CYP11B2 (0.53) | ALDH1A1 |
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-2008137816-A2 | TRICYCLIC COMPOUNDS AS MATRIX METALLOPROTEINASE INHIBITORS | WYETH (US) | 2008-11-13 | — | — | WO | disclosed |