Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.54 |
| ▸ | TSHR | P16473 | 3/20 | 0.54 |
| ▸ | THRB | P10828 | 1/20 | 0.52 |
| ▸ | CES2 | O00748 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | THRA | P10827 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | MGAM | O43451 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | SI | P14410 | 1/20 | 0.32 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.32 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4444502 | 0.88 | — | — | |
| Bicarbonate SCHEMBL376795 | 0.85 | ALDH1A1 (0.62) | ALDH1A1TSHRTHRBNPC1HPGD | |
| Bicarbonate SCHEMBL11500913 | 0.85 | ALDH1A1 (0.62) | ALDH1A1TSHRTHRBNPC1HPGD | |
| Bicarbonate SCHEMBL30051784 | 0.82 | ALDH1A1 (0.59) | ALDH1A1TSHRTHRBNPC1HPGD | |
| Bicarbonate SCHEMBL377470 | 0.82 | ALDH1A1 (0.59) | ALDH1A1TSHRTHRBNPC1HPGD | |
| SCHEMBL1417339 | 0.81 | ALDH1A1 (0.58) | ALDH1A1TSHRTHRBCES2NPC1 | |
| SCHEMBL1172675 | 0.81 | ALDH1A1 (0.52) | ALDH1A1TSHRTHRBCES2HSD17B10 | |
| Ethylene SCHEMBL8946643 | 0.80 | ALDH1A1 (0.46) | ALDH1A1TSHRTHRBCES2HSD17B10 | |
| SCHEMBL5164558 | 0.80 | — | — | |
| Acetone SCHEMBL27690718 | 0.79 | ALDH1A1 (0.70) | ALDH1A1TSHRTHRBCES2NPC1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0842191-A2 | CYCLOSPORIN DERIVATIVES WITH ANTI-HIV ACTIVITY | C-Chem AG (CH) | 1998-05-20 | — | — | EP | disclosed |
| WO-1997004005-A2 | CYCLOSPORIN DERIVATIVES WITH ANTI-HIV EFFECT | C-CHEM AG (CH) | 1997-02-06 | — | — | WO | disclosed |