Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 4/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 5/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | PNLIP | P16233 | 1/20 | 0.41 |
| ▸ | P2RX1 | P51575 | 2/20 | 0.41 |
| ▸ | CNR1 | P21554 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 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 | |
|---|---|---|---|---|
| SCHEMBL4348078 | 0.87 | TSHR (0.45) | TSHRRAB9APKMNPC1ALDH1A1 | |
| SCHEMBL4348034 | 0.87 | MEN1 (0.38) | RAB9AALDH1A1MAPTKMT2ALMNA | |
| SCHEMBL4347958 | 0.87 | TSHR (0.50) | TSHRRAB9APKMNPC1ALDH1A1 | |
| SCHEMBL4341297 | 0.85 | KMT2A (0.43) | TSHRRAB9ANPC1ALDH1A1SMN1; SMN2 | |
| SCHEMBL4346608 | 0.84 | TSHR (0.47) | TSHRRAB9APKMNPC1ALDH1A1 | |
| SCHEMBL4358931 | 0.83 | EPHX2 (0.49) | RAB9ANPC1ALDH1A1P2RX1EPHX2 | |
| SCHEMBL4346926 | 0.80 | TSHR (0.46) | TSHRRAB9APKMNPC1ALDH1A1 | |
| SCHEMBL4345983 | 0.80 | RAB9A (0.50) | TSHRRAB9APKMNPC1ALDH1A1 | |
| SCHEMBL4341747 | 0.79 | TSHR (0.45) | TSHRRAB9APKMNPC1ALDH1A1 | |
| SCHEMBL4345618 | 0.78 | TSHR (0.47) | TSHRRAB9APKMNPC1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | claimed |
| EP-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | disclosed |