Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | CYP26B1 | Q9NR63 | 2/20 | 0.45 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9432011 | 0.81 | CYP1A2 (0.40) | HDAC1CYP26B1CYP1A2MEN1KMT2A | |
| SCHEMBL11039437 | 0.79 | CYP1A2 (0.44) | HDAC1CYP26B1CYP26A1CYP1A2MEN1 | |
| SCHEMBL3792532 | 0.77 | NPC1 (0.43) | HDAC1CYP26B1CYP26A1CYP1A2MEN1 | |
| SCHEMBL28692951 | 0.77 | ESR1 (0.54) | CYP26B1CYP26A1CYP1A2MEN1KMT2A | |
| SCHEMBL504013 | 0.77 | ALDH1A1 (0.57) | HDAC1CYP1A2KMT2AALDH1A1TSHR | |
| SCHEMBL2535031 | 0.76 | MIF (0.50) | HDAC1CYP26B1CYP26A1CYP1A2MEN1 | |
| SCHEMBL3355856 | 0.76 | CES2 (0.47) | CYP1A2MEN1KMT2AALDH1A1LMNA | |
| Hydrogen Sulfide SCHEMBL28874622 | 0.75 | ALDH1A1 (0.55) | HDAC1CYP1A2KMT2AALDH1A1TSHR | |
| Hydrogen Sulfide SCHEMBL27877649 | 0.75 | ALDH1A1 (0.55) | HDAC1CYP1A2KMT2AALDH1A1TSHR | |
| SCHEMBL9039483 | 0.74 | MEN1 (0.40) | HDAC1CYP26B1CYP26A1CYP1A2MEN1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5317103-A | Migraine treatment | MERCK SHARP & DOHME LIMITED (GB) | 1994-05-31 | — | — | US | disclosed |