Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VCAM1 | P19320 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 4/20 | 0.43 |
| ▸ | XDH | P47989 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 3/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL1646291 | 0.93 | VCAM1 (0.54) | VCAM1ALDH1A1TDP1CYP3A4TSHR | |
| SCHEMBL1645387 | 0.86 | ALDH1A1 (0.58) | ALDH1A1TDP1CYP3A4TSHRMAPT | |
| SCHEMBL16960660 | 0.81 | VCAM1 (0.51) | VCAM1ALDH1A1TDP1CYP3A4TSHR | |
| SCHEMBL1706658 | 0.78 | VCAM1 (0.59) | VCAM1ALDH1A1TDP1CYP3A4TSHR | |
| SCHEMBL4563789 | 0.78 | GAA (0.60) | ALDH1A1TDP1CYP3A4TSHRMAPT | |
| SCHEMBL29051732 | 0.77 | VCAM1 (0.54) | VCAM1ALDH1A1TDP1CYP3A4TSHR | |
| SCHEMBL689735 | 0.76 | VCAM1 (0.66) | VCAM1ALDH1A1TDP1CYP3A4TSHR | |
| Nitrogen SCHEMBL28796067 | 0.75 | VCAM1 (0.64) | VCAM1ALDH1A1TDP1CYP3A4TSHR | |
| SCHEMBL433268 | 0.75 | CYP3A4 (0.59) | ALDH1A1TDP1CYP3A4TSHRMAPT | |
| SCHEMBL16958430 | 0.75 | VCAM1 (0.51) | VCAM1ALDH1A1TDP1TSHRMAPT |
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-2303329-A1 | ANTIFUNGAL COMBINATION THERAPY | F2G Limited (GB) | 2011-04-06 | — | — | EP | disclosed |
| WO-2009144473-A1 | ANTIFUNGAL COMBINATION THERAPY | F2G LIMITED (GB) | 2009-12-03 | — | — | WO | disclosed |