Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | STAT3 | P40763 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.37 |
| ▸ | ESR1 | P03372 | 2/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.37 |
| ▸ | TACR2 | P21452 | 2/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11002501 | 0.98 | MAPT (0.36) | MAPTRAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL4802103 | 0.79 | DHFR (0.38) | MAPTRAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL27538141 | 0.79 | ALOX5 (0.39) | MAPTRAB9ASMN1; SMN2KDM4EALDH1A1 | |
| Benzene SCHEMBL28801411 | 0.78 | GPR84 (0.41) | KDM4EUSP2ADORA3LMNAADORA2A | |
| SCHEMBL14821695 | 0.76 | NOS1 (0.39) | RAB9AKDM4EHSD17B10NPC1LMNA | |
| SCHEMBL3642529 | 0.75 | ADORA2A (0.39) | MAPTRAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL15894462 | 0.74 | RAB9A (0.57) | MAPTRAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL28351808 | 0.74 | PTGS2 (0.48) | MAPTRAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL17967585 | 0.74 | RAB9A (0.57) | MAPTRAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL18005443 | 0.74 | PTGS2 (0.48) | MAPTRAB9ASMN1; SMN2KDM4EALDH1A1 |
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 3 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 |
| 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 |