Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.32 |
| ▸ | TBXAS1 | P24557 | 3/20 | 0.32 |
| ▸ | TP53 | P04637 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | AHR | P35869 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | CYP24A1 | Q07973 | 1/20 | 0.30 |
| ▸ | EGLN3 | Q9H6Z9 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL15465728 | 0.92 | ALDH1A1 (0.36) | TDP1ALDH1A1TBXAS1TP53TSHR | |
| SCHEMBL15464597 | 0.92 | ALDH1A1 (0.36) | TDP1ALDH1A1TBXAS1TP53TSHR | |
| SCHEMBL12467754 | 0.92 | ALDH1A1 (0.36) | TDP1ALDH1A1TBXAS1TP53TSHR | |
| SCHEMBL12016624 | 0.92 | ALDH1A1 (0.36) | TDP1ALDH1A1TBXAS1TP53TSHR | |
| SCHEMBL12016623 | 0.87 | ALDH1A1 (0.39) | TDP1ALDH1A1TBXAS1AHRCYP24A1 | |
| SCHEMBL15583426 | 0.86 | TBXAS1 (0.34) | TDP1ALDH1A1TBXAS1AHRKDM4E | |
| SCHEMBL16214294 | 0.84 | ABCB11 (0.35) | TDP1ALDH1A1TBXAS1TSHRHSD17B10 | |
| SCHEMBL19240712 | 0.84 | ABCB11 (0.35) | TDP1ALDH1A1TBXAS1TSHRHSD17B10 | |
| SCHEMBL12414787 | 0.84 | THRB (0.39) | TDP1ALDH1A1TBXAS1AHRCYP24A1 | |
| SCHEMBL13225859 | 0.84 | THRB (0.49) | TDP1ALDH1A1TBXAS1TSHRAHR |
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-2012103328-A1 | LABELED, NON- PEPTIDIC MULTIVALENT INTEGRIN ALPHA -V - BETA - 3 ANTAGONISTS, COMPOSITIONS CONTAINING THEM AND THEIR USE | THE METHODIST HOSPITAL RESEARCH INSTITUTE (US) | 2012-08-02 | — | — | WO | disclosed |