Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 11/20 | 0.53 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | FYN | P06241 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | SRC | P12931 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.38 |
| ▸ | TLR2 | O60603 | 1/20 | 0.38 |
| ▸ | TLR1 | Q15399 | 1/20 | 0.38 |
| ▸ | TLR6 | Q9Y2C9 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL13006162 | 0.83 | ERN1 (0.43) | ERN1SMN1; SMN2ALDH1A1FYNMAPT | |
| SCHEMBL13006172 | 0.82 | ERN1 (0.57) | ERN1SMN1; SMN2ALDH1A1HPGDMAPT | |
| SCHEMBL4685731 | 0.80 | CA1 (0.49) | ERN1CA1CA2SRCTLR2 | |
| SCHEMBL5373060 | 0.78 | CA1 (0.53) | ERN1CA1CA2ALDH1A1SRC | |
| SCHEMBL1642697 | 0.78 | CA1 (0.56) | ERN1CA1CA2ALDH1A1MAPT | |
| SCHEMBL184461 | 0.77 | CA1 (0.51) | ERN1CA1CA2HPGDMAPT | |
| SCHEMBL5737981 | 0.77 | CA1 (0.51) | ERN1CA1CA2ALDH1A1MAPT | |
| SCHEMBL13006175 | 0.75 | CYP1A2 (0.47) | SMN1; SMN2ALDH1A1HPGDFYNCYP1A2 | |
| SCHEMBL5982536 | 0.74 | CA1 (0.49) | ERN1CA1CA2ALDH1A1MAPT | |
| SCHEMBL15709668 | 0.74 | CYP1A2 (0.53) | ERN1SMN1; SMN2ALDH1A1HPGDCYP1A2 |
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-7851637-B2 | Compounds and methods for inhibiting the interaction of BCL proteins with binding partners | INFINITY PHARMACEUTICALS, INC. (US) | 2010-12-14 | — | — | US | disclosed |