Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.38 |
| ▸ | UBE2T | Q9NPD8 | 1/20 | 0.37 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.36 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | SMPD3 | Q9NY59 | 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 | |
|---|---|---|---|---|
| SCHEMBL10998112 | 0.98 | SMN1; SMN2 (0.46) | ALDH1A1POLBSMN1; SMN2PTPN11MAPK1 | |
| SCHEMBL10998627 | 0.84 | PIK3CA (0.52) | ALDH1A1POLBPTPN11MAPK1TSHR | |
| SCHEMBL11002487 | 0.84 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2TSHRHRH4KDM4E | |
| SCHEMBL11002348 | 0.84 | PTPN11 (0.47) | ALDH1A1POLBSMN1; SMN2PTPN11HRH4 | |
| SCHEMBL10996681 | 0.82 | PIK3CD (0.32) | ALDH1A1POLBSMN1; SMN2PTPN11HRH4 | |
| SCHEMBL10995352 | 0.82 | CDK1 (0.40) | ALDH1A1POLBSMN1; SMN2PTPN11HRH4 | |
| SCHEMBL1776789 | 0.81 | PTPN11 (0.49) | ALDH1A1POLBSMN1; SMN2PTPN11MAPK1 | |
| SCHEMBL11000227 | 0.80 | MAPT (0.55) | ALDH1A1POLBSMN1; SMN2PTPN11MAPK1 | |
| SCHEMBL10996942 | 0.80 | PTPN11 (0.36) | ALDH1A1POLBSMN1; SMN2PTPN11MAPK1 | |
| SCHEMBL20089101 | 0.79 | PTPN11 (0.48) | ALDH1A1POLBSMN1; SMN2PTPN11MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| US-RE31926-E | Penicillins and salts thereof | BOEHRINGER INGELHEIM GMBH (DE) | 1985-06-25 | — | — | US | disclosed |
| EP-0003814-B1 | PENICILLINS, THEIR SALTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | Dr. Karl Thomae GmbH (DE) | 1981-12-16 | — | — | EP | disclosed |
| US-4241056-A | ANTIBIOTICS | BOEHRINGER INGELHEIM GMBH (DE) | 1980-12-23 | — | — | US | disclosed |
| EP-0003814-A2 | Penicillins, their salts, process for their preparation and pharmaceutical compositions containing them | Dr. Karl Thomae GmbH (DE) | 1979-09-05 | — | — | EP | disclosed |