Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOD1 | Q9Y239 | 2/20 | 0.42 |
| ▸ | AKR1C3 | P42330 | 9/20 | 0.39 |
| ▸ | AKR1C2 | P52895 | 9/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | BRAF | P15056 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.35 |
| ▸ | CDC42 | P60953 | 1/20 | 0.35 |
| ▸ | RAC1 | P63000 | 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 | |
|---|---|---|---|---|
| SCHEMBL11148341 | 0.76 | NOD1 (0.46) | NOD1SMN1; SMN2KDM4EALDH1A1GAA | |
| SCHEMBL11258166 | 0.74 | SMN1; SMN2 (0.46) | AKR1C3AKR1C2SMN1; SMN2CYP1A2MAOA | |
| SCHEMBL11245114 | 0.71 | TP53 (0.39) | AKR1C3AKR1C2SMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL11244587 | 0.68 | NOD1 (0.61) | NOD1AKR1C3AKR1C2KDM4EALDH1A1 | |
| SCHEMBL4132162 | 0.64 | DYRK1A (0.63) | SMN1; SMN2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL9823526 | 0.62 | POLB (0.58) | AKR1C3AKR1C2SMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL16831706 | 0.61 | HCAR3 (0.60) | SMN1; SMN2KDM4EALDH1A1MAPTPOLB | |
| SCHEMBL6951836 | 0.61 | MAPKAPK2 (0.49) | POLBBRAF | |
| SCHEMBL4854892 | 0.61 | ALDH1A1 (0.55) | SMN1; SMN2KDM4EALDH1A1MAPTPOLB | |
| SCHEMBL25171869 | 0.60 | DYRK1A (0.50) | SMN1; SMN2KDM4EALDH1A1MAPTPOLB |
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 |