Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B3 | P37058 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 4/20 | 0.35 |
| ▸ | MAOB | P27338 | 3/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | TMPRSS2 | O15393 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL14769042 | 0.74 | MAOA (0.46) | HSD17B3MAOAMAOBRXFP1NOTUM | |
| SCHEMBL6261159 | 0.69 | MAOA (0.44) | MAOAMAOBRXFP1NOTUMALDH1A1 | |
| SCHEMBL13976110 | 0.68 | NPC1 (0.39) | HSD17B3MAOAMAOBNOTUMALDH1A1 | |
| SCHEMBL6866847 | 0.68 | HSD17B3 (0.37) | HSD17B3MAOAMAOBRXFP1NOTUM | |
| SCHEMBL13966515 | 0.68 | HSD17B3 (0.37) | HSD17B3MAOAMAOBRXFP1NOTUM | |
| SCHEMBL6866853 | 0.68 | HSD17B3 (0.37) | HSD17B3MAOAMAOBRXFP1NOTUM | |
| SCHEMBL6645559 | 0.68 | MAOA (0.39) | HSD17B3MAOAMAOBRXFP1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL11434377 | 0.67 | MAOA (0.46) | MAOAMAOBRXFP1NOTUMALDH1A1 | |
| SCHEMBL25260022 | 0.67 | HSD17B3 (0.42) | HSD17B3NOTUMALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL11776394 | 0.66 | NOTUM (0.55) | HSD17B3NOTUM |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3501546-A2 | CYSTEINE DRUG CONJUGATES AND USE OF SAME | Seattle Genetics, Inc. (US) | 2019-06-26 | — | — | EP | disclosed |
| EP-2579887-B1 | NOVEL AURISTATIN DERIVATIVES AND USE THEREOF | SEATTLE GENETICS INC (US) | 2014-11-12 | — | — | EP | disclosed |