Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.39 |
| ▸ | ABAT | P80404 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4353654 | 0.78 | MAPT (0.49) | ALDH1A1MAPK1HPGDTP53TSHR | |
| SCHEMBL4343483 | 0.78 | ESR1 (0.39) | ALDH1A1HSD17B10KDM4ELMNA | |
| SCHEMBL4357469 | 0.78 | MAPK1 (0.38) | ALDH1A1MAPK1TSHRSMN1; SMN2HSD17B10 | |
| SCHEMBL4345611 | 0.78 | MAPT (0.42) | ALDH1A1MAPK1HPGDTP53TSHR | |
| SCHEMBL4356327 | 0.77 | TRPV1 (0.45) | ALDH1A1HPGDTP53SMN1; SMN2HSD17B10 | |
| SCHEMBL4347023 | 0.74 | KMT2A (0.53) | ALDH1A1HPGDSMN1; SMN2MAPTNPSR1 | |
| SCHEMBL27598146 | 0.74 | ALDH1A1 (0.51) | ALDH1A1MAPK1HPGDTP53TSHR | |
| SCHEMBL4347093 | 0.73 | RAB9A (0.47) | ALDH1A1HPGDSMN1; SMN2L3MBTL1MAPT | |
| SCHEMBL4345489 | 0.73 | CA12 (0.47) | ALDH1A1MAPTCA12CA1CA2 | |
| SCHEMBL11808657 | 0.72 | TSHR (0.46) | ALDH1A1MAPK1HPGDTSHRSMN1; 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 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 |