Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 4/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.38 |
| ▸ | RELA | Q04206 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 2/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | CRBN | Q96SW2 | 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 | |
|---|---|---|---|---|
| SCHEMBL9191317 | 1.00 | RAB9A (0.39) | RAB9ALMNANPC1NFKB1NFKB2 | |
| SCHEMBL9592088 | 0.91 | NPC1 (0.45) | LMNANPC1NFKB1NFKB2RELA | |
| SCHEMBL9590358 | 0.91 | NPC1 (0.45) | LMNANPC1NFKB1NFKB2RELA | |
| SCHEMBL9592221 | 0.91 | NPC1 (0.45) | LMNANPC1NFKB1NFKB2RELA | |
| SCHEMBL9590785 | 0.91 | NPC1 (0.45) | LMNANPC1NFKB1NFKB2RELA | |
| SCHEMBL9592098 | 0.91 | NPC1 (0.45) | LMNANPC1NFKB1NFKB2RELA | |
| SCHEMBL9592214 | 0.91 | NPC1 (0.45) | LMNANPC1NFKB1NFKB2RELA | |
| SCHEMBL9590793 | 0.91 | NPC1 (0.45) | LMNANPC1NFKB1NFKB2RELA | |
| SCHEMBL9590835 | 0.91 | NPC1 (0.45) | LMNANPC1NFKB1NFKB2RELA | |
| SCHEMBL9590728 | 0.91 | NPC1 (0.45) | LMNANPC1NFKB1NFKB2RELA |
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-5230827-A | DERIVATIVES OF 2,3-DIFLUOROBENZOIC ACID | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1993-07-27 | — | — | US | disclosed |