Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 4/20 | 0.54 |
| ▸ | POLB | P06746 | 2/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | NPC1 | O15118 | 4/20 | 0.45 |
| ▸ | RAB9A | P51151 | 4/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | NAMPT | P43490 | 1/20 | 0.44 |
| ▸ | MMP13 | P45452 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6996878 | 0.76 | RAB9A (0.44) | HPGDPOLBHTTKDM4EALDH1A1 | |
| SCHEMBL16906829 | 0.76 | CA1 (0.61) | HPGDPOLBHTTCA12CA1 | |
| SCHEMBL16906828 | 0.76 | PDE4B (0.49) | HPGDPOLBHTTKDM4EALDH1A1 | |
| SCHEMBL620074 | 0.75 | POLB (0.66) | HPGDPOLBHTTKDM4EALDH1A1 | |
| SCHEMBL14590643 | 0.75 | NAMPT (0.55) | HPGDPOLBHTTNAMPT | |
| SCHEMBL14211966 | 0.74 | ALDH1A1 (0.44) | ALDH1A1NPC1RAB9AKMT2AMEN1 | |
| SCHEMBL14625864 | 0.74 | NAMPT (0.54) | HPGDPOLBHTTKDM4EALDH1A1 | |
| SCHEMBL3319225 | 0.72 | SMN1; SMN2 (0.65) | HPGDPOLBHTTKDM4EALDH1A1 | |
| SCHEMBL17327561 | 0.72 | ALDH1A1 (0.62) | HPGDPOLBKDM4EALDH1A1TP53 | |
| SCHEMBL29516904 | 0.72 | ALDH1A1 (0.62) | HPGDPOLBKDM4EALDH1A1TP53 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1458703-A1 | ISOCHROMAN COMPOUNDS FOR TREATMENT OF CNS DISORDERS | ELI LILLY AND COMPANY (US) | 2004-09-22 | — | — | EP | disclosed |
| EP-1345930-A2 | PHARMACEUTICAL COMPOUNDS | ELI LILLY AND COMPANY (US) | 2003-09-24 | — | — | EP | disclosed |
| WO-2003053948-A1 | ISOCHROMAN COMPOUNDS FOR TREATMENT OF CNS DISORDERS | ELI LILLY AND COMPANY (US) | 2003-07-03 | — | — | WO | disclosed |
| WO-2002050067-A2 | PHARMACEUTICAL HETEROCYCLIC COMPOUNDS | ELI LILLY AND COMPANY (US) | 2002-06-27 | — | — | WO | disclosed |