Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 5/20 | 0.74 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.67 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.67 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.67 |
| ▸ | HTT | P42858 | 2/20 | 0.67 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.67 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.67 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.67 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.67 |
| ▸ | MEN1 | O00255 | 2/20 | 0.67 |
| ▸ | RAB9A | P51151 | 3/20 | 0.65 |
| ▸ | NPC1 | O15118 | 2/20 | 0.65 |
| ▸ | LMNA | P02545 | 1/20 | 0.62 |
| ▸ | MAPT | P10636 | 1/20 | 0.62 |
| ▸ | POLB | P06746 | 1/20 | 0.59 |
| ▸ | CA1 | P00915 | 1/20 | 0.59 |
| ▸ | CA2 | P00918 | 1/20 | 0.59 |
| ▸ | PLK1 | P53350 | 1/20 | 0.59 |
| ▸ | CA9 | Q16790 | 1/20 | 0.59 |
| ▸ | PKM | P14618 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL8611290 | 0.87 | EPHX1 (0.97) | EPHX1ALDH1A1NPSR1ALOX12HTT | |
| SCHEMBL11106469 | 0.85 | EPHX1 (1.00) | EPHX1ALDH1A1NPSR1ALOX12HTT | |
| SCHEMBL31398632 | 0.84 | ALDH1A1 (0.77) | EPHX1ALDH1A1NPSR1ALOX12SMN1; SMN2 | |
| SCHEMBL14096442 | 0.84 | EPHX1 (0.76) | EPHX1ALDH1A1NPSR1ALOX12HTT | |
| SCHEMBL28670091 | 0.84 | SIRT1 (0.59) | EPHX1ALDH1A1NPSR1HTTSMN1; SMN2 | |
| N-(Phenylcarbamothioyl)Benzamide SCHEMBL2341910 | 0.83 | EPHX1 (1.00) | EPHX1ALDH1A1NPSR1ALOX12SMN1; SMN2 | |
| SCHEMBL8616503 | 0.82 | EPHX1 (0.83) | EPHX1ALDH1A1NPSR1ALOX12HTT | |
| SCHEMBL12012121 | 0.81 | ALDH1A1 (0.75) | EPHX1ALDH1A1NPSR1ALOX12HTT | |
| SCHEMBL31321777 | 0.80 | ALDH1A1 (0.85) | EPHX1ALDH1A1NPSR1SMN1; SMN2KMT2A | |
| SCHEMBL27451748 | 0.80 | MIF (0.83) | EPHX1ALDH1A1NPSR1ALOX12HTT |
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-4211867-A | ANTISECRETORY AGENTS, HYPOGLYCEMIC AGENTS, ANTIARRHYTHMIA AGENTS | MCNEIL LABORATORIES, INCORPORATED (US) | 1980-07-08 | — | — | US | disclosed |