Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | ESRRB | O95718 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 3/20 | 0.32 |
| ▸ | NOS1 | P29475 | 3/20 | 0.32 |
| ▸ | NOS2 | P35228 | 3/20 | 0.32 |
| ▸ | ANPEP | P15144 | 3/20 | 0.32 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.32 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.32 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | PTGFR | P43088 | 3/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | CASP3 | P42574 | 1/20 | 0.32 |
| ▸ | CASP6 | P55212 | 1/20 | 0.32 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11823083 | 0.91 | CYP2C9 (0.31) | ALDH1A1ADRB3CNR1CASP3CASP6 | |
| SCHEMBL11821438 | 0.85 | ESRRB (0.36) | ALDH1A1ESRRBANPEPKMT2A | |
| SCHEMBL11821434 | 0.85 | CYP1A2 (0.35) | ALDH1A1ESRRBADRB2ADRB1ADRB3 | |
| SCHEMBL11817919 | 0.82 | GRIN2D (0.39) | ALDH1A1NOS3NOS1NOS2CNR1 | |
| SCHEMBL11097563 | 0.82 | FFAR1 (0.38) | ALDH1A1HTTPTGFRKMT2A | |
| SCHEMBL11826141 | 0.78 | MEN1 (0.32) | ALDH1A1KMT2A | |
| SCHEMBL11097440 | 0.78 | CTSC (0.33) | ALDH1A1ESRRBANPEPNPC1KMT2A | |
| SCHEMBL11823939 | 0.78 | ALDH1A1 (0.38) | ALDH1A1HTTKMT2A | |
| SCHEMBL11821704 | 0.77 | KIF11 (0.39) | ALDH1A1HTTNPC1 | |
| SCHEMBL11821371 | 0.77 | CTSL (0.38) | ALDH1A1NOS3NOS1NOS2KMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4460604-A | ANALGESICS, NARCOTIC ANTAGONIST | THE UPJOHN COMPANY (US) | 1984-07-17 | — | — | US | disclosed |
| US-4180584-A | ANALGESIC; NARCOTIC ANTAGONIST | THE UPJOHN COMPANY (US) | 1979-12-25 | — | — | US | disclosed |
| US-4065573-A | ANALGESICS | THE UPJOHN COMPANY (US) | 1977-12-27 | — | — | US | disclosed |