Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 2/20 | 0.54 |
| ▸ | CTSL | P07711 | 1/20 | 0.46 |
| ▸ | CTSB | P07858 | 1/20 | 0.46 |
| ▸ | CTSS | P25774 | 1/20 | 0.46 |
| ▸ | CTSK | P43235 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.41 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.41 |
| ▸ | EPOR | P19235 | 1/20 | 0.41 |
| ▸ | CCR6 | P51684 | 1/20 | 0.41 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.41 |
| ▸ | CTRB1 | P17538 | 2/20 | 0.41 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.41 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL22165392 | 0.87 | ABCB1 (0.55) | ABCB1CTSLCTSBCTSSCTSK | |
| SCHEMBL22165390 | 0.87 | ABCB1 (0.55) | ABCB1CTSLCTSBCTSSCTSK | |
| SCHEMBL22457646 | 0.87 | ABCB1 (0.62) | ABCB1CTSLCTSBCTSSCTSK | |
| SCHEMBL8615966 | 0.87 | ABCB1 (0.55) | ABCB1CTSLCTSBCTSSCTSK | |
| SCHEMBL11302270 | 0.85 | ABCB1 (0.53) | ABCB1CTSLCTSBCTSSCTSK | |
| SCHEMBL11306130 | 0.85 | CTSK (0.58) | ABCB1CTSLCTSBCTSSCTSK | |
| SCHEMBL11306127 | 0.85 | CTSK (0.58) | ABCB1CTSLCTSBCTSSCTSK | |
| SCHEMBL9386683 | 0.83 | ABCB1 (0.51) | ABCB1CTSLCTSBCTSSCTSK | |
| SCHEMBL18379807 | 0.83 | ABCB1 (0.51) | ABCB1CTSLCTSBCTSSCTSK | |
| SCHEMBL10788987 | 0.82 | ABCB1 (0.59) | ABCB1CTSLCTSBCTSSCTSK |
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-2016202894-A1 | METHOD OF CONVERTING ALCOHOL TO HALIDE | UNIVERSITAET DES SAARLANDES (DE) | 2016-12-22 | — | — | WO | disclosed |