Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 8/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 8/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.34 |
| ▸ | CDC42 | P60953 | 1/20 | 0.34 |
| ▸ | RAC1 | P63000 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL11256125 | 0.71 | NOD1 (0.42) | TSHRAKR1C3AKR1C2ALDH1A1SMN1; SMN2 | |
| SCHEMBL11258166 | 0.68 | SMN1; SMN2 (0.46) | TSHRAKR1C3AKR1C2SMN1; SMN2PTGS1 | |
| SCHEMBL11244587 | 0.66 | NOD1 (0.61) | TSHRAKR1C3AKR1C2ALDH1A1PTGS1 | |
| SCHEMBL16831706 | 0.60 | HCAR3 (0.60) | ALDH1A1SMN1; SMN2MAPTKDM4EMEN1 | |
| SCHEMBL6787925 | 0.58 | MAPT (0.53) | TP53TSHRNPSR1L3MBTL1AKR1C3 | |
| SCHEMBL2883579 | 0.58 | HRH3 (0.56) | TSHRAKR1C3AKR1C2ALDH1A1SMN1; SMN2 | |
| SCHEMBL11880074 | 0.58 | AKR1C3 (0.77) | TSHRAKR1C3AKR1C2PTGS1LMNA | |
| SCHEMBL11219311 | 0.58 | PTGS1 (0.74) | NPSR1L3MBTL1AKR1C3AKR1C2ALDH1A1 | |
| SCHEMBL23513402 | 0.57 | CYP2C9 (0.47) | TSHRAKR1C3AKR1C2PTGS1CHRM1 | |
| SCHEMBL1891624 | 0.57 | AKR1C3 (0.54) | TP53TSHRAKR1C3AKR1C2SMN1; SMN2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4316021-A | VIRICIDES | ELI LILLY AND COMPANY (US) | 1982-02-16 | — | — | US | disclosed |
| US-4243813-A | VIRICIDES | ELI LILLY AND COMPANY (US) | 1981-01-06 | — | — | US | disclosed |
| US-4196125-A | VIRICIDES | ELI LILLY AND COMPANY (US) | 1980-04-01 | — | — | US | disclosed |
| US-4118573-A | ANTIVIRAL AGENTS | ELI LILLY AND COMPANY (US) | 1978-10-03 | — | — | US | disclosed |
| US-4018790-A | VIRICIDES | ELI LILLY AND COMPANY (US) | 1977-04-19 | — | — | US | disclosed |