Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | TSHR | P16473 | 5/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL21822034 | 0.82 | NPC1 (0.46) | ALDH1A1TSHRHSD17B10GAAKDM4E | |
| SCHEMBL31318714 | 0.80 | MAPT (0.46) | ALDH1A1TSHRHSD17B10KDM4ESMN1; SMN2 | |
| SCHEMBL1750923 | 0.80 | ALDH1A1 (0.52) | ALDH1A1HSD17B10KDM4ESMN1; SMN2MEN1 | |
| SCHEMBL6893562 | 0.75 | ALDH1A1 (0.46) | ALDH1A1TDP1KDM4EMEN1KMT2A | |
| SCHEMBL8395099 | 0.75 | ALDH1A1 (0.51) | ALDH1A1HSD17B10MEN1KMT2APKM | |
| SCHEMBL9832857 | 0.74 | ALDH1A1 (0.53) | ALDH1A1TSHRTDP1HSD17B10GAA | |
| SCHEMBL2165481 | 0.74 | ALDH1A1 (0.67) | ALDH1A1TSHRGAAKDM4ESMN1; SMN2 | |
| SCHEMBL16879853 | 0.72 | ALOX5 (0.43) | ALDH1A1GAAMAPT | |
| SCHEMBL1303947 | 0.71 | ALDH1A1 (0.39) | ALDH1A1HSD17B10GAAKDM4ESMN1; SMN2 | |
| SCHEMBL25352201 | 0.71 | ALDH1A1 (0.47) | ALDH1A1TSHRGAAKDM4ESMN1; SMN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015101928-A1 | FUSED THIOPHENE AND THIAZOLE DERIVATIVES AS ROR GAMMA MODULATORS | AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) | 2015-07-09 | — | — | WO | disclosed |
| WO-2015083130-A1 | FUSED PYRIDINE AND PYRIMIDINE DERIVATIVES AS ROR GAMMA MODULATORS | AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) | 2015-06-11 | — | — | WO | disclosed |
| WO-2015083130-A1 | FUSED PYRIDINE AND PYRIMIDINE DERIVATIVES AS ROR GAMMA MODULATORS | AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) | 2015-06-11 | — | — | WO | disclosed |