Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.48 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.45 |
| ▸ | SUV39H2 | Q9H5I1 | 2/20 | 0.42 |
| ▸ | FFAR1 | O14842 | 5/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | SCD | O00767 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL8866119 | 0.85 | S1PR1 (0.45) | LOXL2S1PR1SUV39H2FFAR1CHRM4 | |
| Trifluoroacetic Acid SCHEMBL8866962 | 0.84 | ALDH1A1 (0.50) | LOXL2FFAR1KDM4EALDH1A1MEN1 | |
| Trifluoroacetic Acid SCHEMBL8867217 | 0.83 | SUV39H2 (0.43) | S1PR1SUV39H2CHRM4SMN1; SMN2MAPT | |
| Trifluoroacetic Acid SCHEMBL9235973 | 0.81 | SUV39H2 (0.43) | LOXL2S1PR1SUV39H2FFAR1CHRM4 | |
| SCHEMBL8866558 | 0.78 | SUV39H2 (0.47) | LOXL2S1PR1SUV39H2KDM4EALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL8865907 | 0.76 | DHODH (0.50) | LOXL2KDM4EALDH1A1MEN1KMT2A | |
| Trifluoroacetic Acid SCHEMBL18049348 | 0.75 | LOXL2 (0.84) | LOXL2SMN1; SMN2TP53NPC1RAB9A | |
| SCHEMBL8866329 | 0.74 | SUV39H2 (0.47) | SUV39H2KDM4EALDH1A1MEN1HSP90AA1 | |
| SCHEMBL8866643 | 0.74 | SUV39H2 (0.47) | SUV39H2KDM4EALDH1A1KMT2ANPC1 | |
| SCHEMBL16212169 | 0.73 | TLR9 (0.50) | FFAR1KDM4EALDH1A1SMN1; SMN2TP53 |
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-5614531-A | Adhesion receptor antagonists | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1997-03-25 | — | — | US | disclosed |