Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.57 |
| ▸ | F2R | P25116 | 11/20 | 0.56 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | TP53 | P04637 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | USP2 | O75604 | 1/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.51 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.51 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.51 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.50 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL11411088 | 0.91 | ALDH1A1 (0.51) | ALDH1A1MAPK1F2RMTNR1BGAA | |
| SCHEMBL11524205 | 0.90 | ALDH1A1 (0.52) | ALDH1A1MAPK1F2RMTNR1BGAA | |
| SCHEMBL9621940 | 0.89 | HDAC3 (0.59) | ALDH1A1MAPTHDAC3HDAC4HDAC1 | |
| SCHEMBL9621938 | 0.89 | HDAC3 (0.59) | ALDH1A1MAPTHDAC3HDAC4HDAC1 | |
| SCHEMBL9621976 | 0.89 | HDAC3 (0.59) | ALDH1A1MAPTHDAC3HDAC4HDAC1 | |
| SCHEMBL30400187 | 0.88 | RAB9A (0.61) | ALDH1A1MAPK1F2RMTNR1BGAA | |
| SCHEMBL9408526 | 0.88 | RAB9A (0.61) | ALDH1A1MAPK1F2RMTNR1BGAA | |
| SCHEMBL621847 | 0.87 | ALDH1A1 (0.54) | ALDH1A1MAPK1F2RMTNR1BGAA | |
| SCHEMBL11420893 | 0.86 | ALDH1A1 (0.52) | ALDH1A1MAPK1GAAALOX15MAPT | |
| SCHEMBL11638744 | 0.85 | ALDH1A1 (0.51) | ALDH1A1MAPK1GAAALOX15MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-0580284-A1 | 3,5-Dinitrothiophenazo disperse dyes | ZENECA LIMITED (GB) | 1994-01-26 | — | — | EP | disclosed |
| US-4373102-A | Isoindoline dyes, their preparation and use | BASF AKTIENGESELLSCHAFT (DE) | 1983-02-08 | — | — | US | disclosed |
| US-4180503-A | FOR DYEING POLYAMIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1979-12-25 | — | — | US | disclosed |
| US-4124581-A | FOR NATURAL AND SYNTHETIC FIBERS, COLORFAST | BAYER AKTIENGESELLSCHAFT (DE) | 1978-11-07 | — | — | US | disclosed |
| US-4059402-A | SUBLIMATION, MONOAZO DYES | BAYER AKTIENGESELLSCHAFT (DT) | 1977-11-22 | — | — | US | disclosed |