Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.74 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.74 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | CES2 | O00748 | 2/20 | 0.50 |
| ▸ | CES1 | P23141 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.49 |
| ▸ | RXRA | P19793 | 1/20 | 0.48 |
| ▸ | RXRB | P28702 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.48 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.48 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL8580744 | 0.89 | ALDH1A1 (0.68) | TSHRALOX15SRD5A2ALDH1A1TP53 | |
| SCHEMBL5754068 | 0.87 | TSHR (0.74) | TSHRALOX15SRD5A2ALDH1A1TP53 | |
| SCHEMBL5754075 | 0.87 | TSHR (0.74) | TSHRALOX15SRD5A2ALDH1A1TP53 | |
| 4-Chloro-Benzoic Acid SCHEMBL1331727 | 0.86 | TSHR (1.00) | TSHRALOX15SRD5A2ALDH1A1TP53 | |
| 4-Chloro-Benzoic Acid SCHEMBL28384 | 0.86 | TSHR (1.00) | TSHRALOX15SRD5A2ALDH1A1TP53 | |
| 4-Chloro-Benzoic Acid SCHEMBL8024007 | 0.84 | TSHR (0.94) | TSHRALOX15SRD5A2ALDH1A1TP53 | |
| 4-Chloro-Benzoic Acid SCHEMBL3150134 | 0.84 | TSHR (0.94) | TSHRALOX15SRD5A2ALDH1A1TP53 | |
| 4-Chloro-Benzoic Acid SCHEMBL7634885 | 0.84 | TSHR (0.94) | TSHRALOX15SRD5A2ALDH1A1TP53 | |
| 4-Chloro-Benzoic Acid SCHEMBL9316886 | 0.84 | TSHR (0.94) | TSHRALOX15SRD5A2ALDH1A1TP53 | |
| 4-Chloro-Benzoic Acid SCHEMBL9120766 | 0.84 | TSHR (0.94) | TSHRALOX15SRD5A2ALDH1A1TP53 |
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 |
|---|---|---|---|---|---|---|---|
| US-20110165700-A1 | CLASSES OF COMPOUNDS THAT INTERACT WITH INTEGRINS | ALCHEMIA LIMITED (AU) | 2011-07-07 | — | — | US | claimed |
| US-20110165700-A1 | CLASSES OF COMPOUNDS THAT INTERACT WITH INTEGRINS | ALCHEMIA LIMITED (AU) | 2011-07-07 | — | — | US | disclosed |