Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 1/20 | 0.39 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 6/20 | 0.36 |
| ▸ | NPC1 | O15118 | 5/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | DPP4 | P27487 | 1/20 | 0.36 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | ACKR3 | P25106 | 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 | |
|---|---|---|---|---|
| SCHEMBL20406013 | 0.90 | NPC1 (0.43) | ALDH1A1LMNAHDAC6RAB9ANPC1 | |
| SCHEMBL20405890 | 0.84 | RAB9A (0.45) | LMNAHDAC1HDAC4HDAC6RAB9A | |
| SCHEMBL20405898 | 0.77 | ALDH1A1 (0.41) | S1PR1ALDH1A1LMNARAB9ANPC1 | |
| SCHEMBL20405717 | 0.76 | ALDH1A1 (0.45) | ALDH1A1LMNARAB9ANPC1MEN1 | |
| SCHEMBL20405797 | 0.74 | ALDH1A1 (0.46) | ALDH1A1LMNARAB9ANPC1MEN1 | |
| SCHEMBL20405946 | 0.73 | ALDH1A1 (0.42) | S1PR1ALDH1A1LMNARAB9ANPC1 | |
| SCHEMBL20405810 | 0.72 | ALDH1A1 (0.46) | ALDH1A1LMNARAB9ANPC1MEN1 | |
| SCHEMBL20405789 | 0.72 | RAB9A (0.42) | ALDH1A1LMNAHDAC1HDAC6RAB9A | |
| SCHEMBL2556794 | 0.70 | ALPL (0.50) | S1PR1S1PR3AKR1B1HDAC1HDAC4 | |
| SCHEMBL20405631 | 0.70 | S1PR1 (0.37) | S1PR1S1PR3ALDH1A1LMNAAKR1B1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2250165-B1 | TRIAZOLE OXADIAZOLES DERIVATIVES | MERCK SERONO SA (CH) | 2018-07-25 | — | — | EP | disclosed |