Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | HPGD | P15428 | 4/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.46 |
| ▸ | CA12 | O43570 | 3/20 | 0.45 |
| ▸ | CA2 | P00918 | 3/20 | 0.45 |
| ▸ | CA9 | Q16790 | 3/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3207752 | 0.83 | ALDH1A1 (0.66) | ALDH1A1HPGDHSD17B10CA12CA2 | |
| SCHEMBL6226347 | 0.81 | KDM1A (0.49) | KDM1AALDH1A1HPGDHSD17B10CA12 | |
| SCHEMBL9926528 | 0.80 | MAPT (0.62) | ALDH1A1HPGDHSD17B10KDM4EMAPT | |
| SCHEMBL13736441 | 0.80 | MAPT (0.57) | KDM1AALDH1A1HPGDHSD17B10CA12 | |
| Water SCHEMBL9506362 | 0.79 | KDM1A (0.47) | KDM1AALDH1A1HPGDHSD17B10CA12 | |
| SCHEMBL9577809 | 0.78 | MAPT (0.55) | KDM1AALDH1A1HPGDHSD17B10CA12 | |
| SCHEMBL11879716 | 0.77 | CA12 (0.62) | ALDH1A1HPGDHSD17B10CA12CA9 | |
| Acetic Acid SCHEMBL29786178 | 0.77 | KDM4E (0.49) | KDM1AALDH1A1HPGDHSD17B10CA12 | |
| SCHEMBL1471292 | 0.76 | IDO1 (0.61) | KDM1AALDH1A1HSD17B10CA12CA2 | |
| SCHEMBL9212648 | 0.76 | CA12 (0.55) | ALDH1A1CA12CA2CA9CA1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101374515-A | Inhibitors of AKT activity | MERCK & CO INC (US) | 2009-02-25 | — | — | CN | claimed |
| CN-101374515-B | Inhibitors of akt activity | MERCK SHARP & DOHME | 2013-01-09 | — | — | CN | disclosed |
| CN-101374515-A | Inhibitors of AKT activity | MERCK & CO INC (US) | 2009-02-25 | — | — | CN | disclosed |
| US-4417896-A | NITRO-,AMINO-,PHENOXYALKANOLS | SOCIETE ANONYME DITE: L'OREAL (FR) | 1983-11-29 | — | — | US | disclosed |
| US-4337061-A | NITRO DYES IN AQUEOUS SOLUTION | SOCIETE ANONYME DITE: L'OREAL (FR) | 1982-06-29 | — | — | US | disclosed |