Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 2/20 | 0.37 |
| ▸ | IDO1 | P14902 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | CTSL | P07711 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | RELA | Q04206 | 1/20 | 0.34 |
| ▸ | GABRP | O00591 | 2/20 | 0.33 |
| ▸ | GABRD | O14764 | 2/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.33 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL59005 | 0.89 | MAPK1 (0.45) | KMT2ATDP1MAPK1IDO1ALDH1A1 | |
| SCHEMBL115285 | 0.89 | NPC1 (0.46) | KMT2ANPC1RAB9ATDP1MAPK1 | |
| SCHEMBL8589377 | 0.84 | GABRA1 (0.40) | KMT2ANPC1RAB9AMAOBIDO1 | |
| SCHEMBL8942928 | 0.82 | NPC1 (0.45) | KMT2ANPC1RAB9ATDP1MAPK1 | |
| SCHEMBL27912037 | 0.78 | CYP3A4 (0.41) | KMT2ANPC1RAB9ATDP1MAPK1 | |
| SCHEMBL8943320 | 0.77 | CYP3A4 (0.42) | KMT2ANPC1RAB9ATDP1MAPK1 | |
| SCHEMBL10615043 | 0.74 | TDP1 (0.54) | KMT2ANPC1RAB9ATDP1MAPK1 | |
| SCHEMBL27873 | 0.74 | TDP1 (0.54) | KMT2ANPC1RAB9ATDP1MAPK1 | |
| SCHEMBL29849778 | 0.74 | TDP1 (0.39) | KMT2ANPC1RAB9ATDP1MAPK1 | |
| SCHEMBL29849567 | 0.74 | AGXT (0.40) | TDP1MAPK1ALDH1A1CYP3A4TRPA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1015479-A4 | COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC MACROCYCLES AND PROCESSES THEREFOR | LILLY CO ELI (US) | 2002-07-24 | — | — | EP | disclosed |
| EP-1015479-A1 | COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC MACROCYCLES AND PROCESSES THEREFOR | ELI LILLY AND COMPANY (US) | 2000-07-05 | — | — | EP | disclosed |
| WO-1998046631-A1 | COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC MACROCYCLES AND PROCESSES THEREFOR | ELI LILLY AND COMPANY (US) | 1998-10-22 | — | — | WO | disclosed |