Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 8/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | HCAR2 | Q8TDS4 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | NAAA | Q02083 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.32 |
| ▸ | S1PR3 | Q99500 | 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 | |
|---|---|---|---|---|
| SCHEMBL16116302 | 0.86 | ATM (0.42) | TSHRHPGDATMHCAR2ALDH1A1 | |
| SCHEMBL5772517 | 0.85 | TSHR (0.44) | TSHRHPGDATMHCAR2ALDH1A1 | |
| SCHEMBL6571003 | 0.85 | TSHR (0.44) | TSHRHPGDATMHCAR2ALDH1A1 | |
| SCHEMBL3981178 | 0.82 | ALDH1A1 (0.45) | TSHRHPGDATMHCAR2ALDH1A1 | |
| SCHEMBL5204094 | 0.80 | ALDH1A1 (0.44) | TSHRHPGDATMHCAR2ALDH1A1 | |
| SCHEMBL28249791 | 0.80 | ALDH1A1 (0.44) | TSHRHPGDATMHCAR2ALDH1A1 | |
| SCHEMBL27795945 | 0.79 | ALDH1A1 (0.42) | TSHRHPGDATMHCAR2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL7377198 | 0.79 | ALDH1A1 (0.42) | TSHRHPGDATMHCAR2ALDH1A1 | |
| SCHEMBL27596964 | 0.79 | ALDH1A1 (0.42) | TSHRHPGDATMHCAR2ALDH1A1 | |
| SCHEMBL3965127 | 0.78 | TSHR (0.53) | TSHRHPGDATMHCAR2ALDH1A1 |
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-6245938-B1 | COMPOUND SUITABLE FOR USE BOTH AS DERIVATIZING GROUP FOR OPTICAL SEPARATION OF ENANTIOMERS AND AS PROTECTING GROUP FOR PREPARATION OF MISACYLATED TRNA | UNIVERSITY OF VIRGINIA PATENT FOUNDATION | 2001-06-12 | — | — | US | disclosed |