Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.43 |
| ▸ | AR | P10275 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 5/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 5/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5950192 | 0.98 | HRH3 (0.43) | ALDH1A1HSD17B10GAAMAPK1SMN1; SMN2 | |
| SCHEMBL12244952 | 0.82 | HRH3 (0.56) | HRH3L3MBTL1 | |
| SCHEMBL5631103 | 0.81 | AR (0.45) | ALDH1A1HSD17B10GAAALOX15AR | |
| SCHEMBL4468758 | 0.79 | LMNA (0.49) | MAPK1SMN1; SMN2ARRAB9AKMT2A | |
| SCHEMBL6884198 | 0.79 | ALDH1A1 (0.44) | ALDH1A1GAASMN1; SMN2HRH3RAB9A | |
| Hydrochloric Acid SCHEMBL11518278 | 0.78 | KDM4E (0.41) | ALDH1A1SMN1; SMN2HRH3KMT2A | |
| SCHEMBL21135461 | 0.71 | POLB (0.42) | ALDH1A1HRH3KMT2APOLB | |
| SCHEMBL22334869 | 0.68 | AR (0.54) | HSD17B10MAPK1SMN1; SMN2TP53ALOX15 | |
| SCHEMBL18674672 | 0.68 | AR (0.54) | HSD17B10MAPK1SMN1; SMN2TP53ALOX15 | |
| SCHEMBL18674673 | 0.68 | AR (0.54) | HSD17B10MAPK1SMN1; SMN2TP53ALOX15 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1252806-A | Dolastatin-15 derivatives having carbonyl and heterocyclic functional groups at the C-terminus | BASF AG (DE) | 2000-05-10 | — | — | CN | disclosed |
| EP-0981539-A1 | DOLASTATIN 15 DERIVATIVES WITH CARBONYL AND HETEROCYCLIC FUNCTIONALITIES AT THE C-TERMINUS | BASF AKTIENGESELLSCHAFT (DE) | 2000-03-01 | — | — | EP | disclosed |
| US-5965537-A | ANTICANCER AGENTS; WATER SOLUBILITY | BASF AKTIENGESELLSCHAFT (DE) | 1999-10-12 | — | — | US | disclosed |
| WO-1998040400-A1 | DOLASTATIN 15 DERIVATIVES WITH CARBONYL AND HETEROCYCLIC FUNCTIONALITIES AT THE C-TERMINUS | BASF AKTIENGESELLSCHAFT (DE) | 1998-09-17 | — | — | WO | disclosed |