Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RPS6KA2 | Q15349 | 3/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | GLS | O94925 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 3/20 | 0.40 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.40 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9220706 | 0.92 | KMT2A (0.50) | RPS6KA2RAB9AALDH1A1HTTHPGD | |
| SCHEMBL3062593 | 0.79 | RPS6KA2 (0.73) | RPS6KA2NPC1RAB9AALDH1A1HPGD | |
| SCHEMBL9214156 | 0.78 | ALDH1A1 (0.41) | RPS6KA2NPC1RAB9AALDH1A1KDM4E | |
| SCHEMBL16087635 | 0.77 | RPS6KA2 (0.56) | RPS6KA2NPC1RAB9AALDH1A1HPGD | |
| SCHEMBL6513151 | 0.72 | CES1 (0.52) | RPS6KA2ACHE | |
| SCHEMBL770153 | 0.72 | CASP3 (0.54) | ALDH1A1 | |
| SCHEMBL10819269 | 0.71 | RPS6KA2 (0.74) | RPS6KA2NPC1RAB9AALDH1A1HSD17B10 | |
| SCHEMBL23949983 | 0.70 | SMN1; SMN2 (0.39) | ALDH1A1KDM4EHTTCREBBPHSD17B10 | |
| SCHEMBL13698953 | 0.70 | ACHE (0.57) | ALDH1A1HTTHPGDACHESMN1; SMN2 | |
| SCHEMBL30353328 | 0.70 | SMN1; SMN2 (0.39) | ALDH1A1KDM4EHTTCREBBPHSD17B10 |
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-0369526-B1 | Nitromethylene compounds, their preparation and their use as pesticides | SHELL INT RESEARCH (NL) | 1995-07-26 | — | — | EP | disclosed |
| US-5039686-A | Insecticides | SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) | 1991-08-13 | — | — | US | disclosed |
| EP-0369526-A2 | Nitromethylene compounds, their preparation and their use as pesticides | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1990-05-23 | — | — | EP | disclosed |