Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | MGAM | O43451 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | SI | P14410 | 1/20 | 0.33 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 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 | |
|---|---|---|---|---|
| SCHEMBL15183613 | 0.88 | ALDH1A1 (0.37) | ALDH1A1CYP3A4ALOX15TSHRTDP1 | |
| SCHEMBL15183609 | 0.88 | ALDH1A1 (0.37) | ALDH1A1CYP3A4ALOX15TSHRTDP1 | |
| SCHEMBL19861341 | 0.84 | GAA (0.35) | ALDH1A1CYP3A4ALOX15TSHRTDP1 | |
| SCHEMBL20076321 | 0.84 | GAA (0.35) | ALDH1A1CYP3A4ALOX15TSHRTDP1 | |
| SCHEMBL15187280 | 0.80 | MGAM (0.40) | ALDH1A1CYP3A4ALOX15TSHRTDP1 | |
| SCHEMBL15187256 | 0.80 | MGAM (0.40) | ALDH1A1CYP3A4ALOX15TSHRTDP1 | |
| SCHEMBL31292947 | 0.80 | MGAM (0.46) | ALDH1A1CYP3A4ALOX15TSHRTDP1 | |
| SCHEMBL235713 | 0.72 | GAA (0.41) | ALDH1A1CYP3A4ALOX15TSHRTDP1 | |
| SCHEMBL15183610 | 0.71 | ALDH1A1 (0.39) | ALDH1A1CYP3A4ALOX15TSHRTDP1 | |
| SCHEMBL15183604 | 0.71 | ALDH1A1 (0.39) | ALDH1A1CYP3A4ALOX15TSHRTDP1 |
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-9890198-B2 | Cyclosporin derivatives and uses thereof | S&T GLOBAL INC. (US) | 2018-02-13 | — | — | US | disclosed |