Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.47 |
| ▸ | RAB9A | P51151 | 5/20 | 0.45 |
| ▸ | NPC1 | O15118 | 4/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | POLB | P06746 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | CTSL | P07711 | 10/20 | 0.41 |
| ▸ | CTSB | P07858 | 10/20 | 0.41 |
| ▸ | CTSS | P25774 | 10/20 | 0.41 |
| ▸ | CTSK | P43235 | 2/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6183157 | 0.90 | KDM4E (0.60) | ALDH1A1KDM4ERAB9ANPC1SMN1; SMN2 | |
| SCHEMBL7452860 | 0.90 | KDM4E (0.60) | ALDH1A1KDM4ERAB9ANPC1SMN1; SMN2 | |
| SCHEMBL6183464 | 0.87 | NPC1 (0.48) | ALDH1A1KDM4ERAB9ANPC1SMN1; SMN2 | |
| SCHEMBL6181733 | 0.86 | KMT2A (0.47) | ALDH1A1KDM4ERAB9ANPC1SMN1; SMN2 | |
| SCHEMBL6183646 | 0.85 | PARP1 (0.52) | ALDH1A1KDM4ESMN1; SMN2POLBMEN1 | |
| SCHEMBL6182475 | 0.84 | CTSS (0.62) | CTSLCTSBCTSSCTSKMAPT | |
| SCHEMBL6184482 | 0.83 | RAB9A (0.51) | ALDH1A1KDM4ERAB9ANPC1SMN1; SMN2 | |
| SCHEMBL6183920 | 0.83 | NPC1 (0.45) | ALDH1A1RAB9ANPC1SMN1; SMN2POLB | |
| SCHEMBL6181116 | 0.82 | CTSB (0.55) | CTSLCTSBCTSSCTSKMAPT | |
| SCHEMBL6182198 | 0.82 | CTSB (0.61) | RAB9ANPC1SMN1; SMN2MEN1KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1161415-A2 | N-CYANOMETHYLAMIDES AS PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2001-12-12 | — | — | EP | disclosed |
| WO-2000055126-A2 | N-CYANOMETHYLAMIDES AS PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2000-09-21 | — | — | WO | disclosed |