Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | KCNQ4 | P56696 | 3/20 | 0.40 |
| ▸ | KCNQ5 | Q9NR82 | 3/20 | 0.40 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.39 |
| ▸ | CTSS | P25774 | 2/20 | 0.39 |
| ▸ | CTSK | P43235 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.38 |
| ▸ | CTSL | P07711 | 1/20 | 0.38 |
| ▸ | CTSB | P07858 | 1/20 | 0.38 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MLYCD | O95822 | 1/20 | 0.37 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL25571225 | 0.81 | RECQL (0.40) | AKT1RAB9AKCNQ4KCNQ5CTSS | |
| SCHEMBL1687150 | 0.80 | AKT1 (0.42) | AKT1RAB9AALDH1A1CTSSCTSL | |
| SCHEMBL6333512 | 0.76 | AKT1 (0.41) | AKT1KCNQ4KCNQ5CTSSCTSK | |
| SCHEMBL20557709 | 0.76 | DGAT1 (0.40) | AKT1RAB9AALDH1A1GPR119NPC1 | |
| SCHEMBL13197761 | 0.76 | RAB9A (0.53) | RAB9AALDH1A1CXCR2OPRD1NPC1 | |
| SCHEMBL5677290 | 0.73 | AKT1 (0.35) | AKT1 | |
| SCHEMBL9429515 | 0.73 | AKT1 (0.36) | AKT1ALDH1A1CTSSCTSLCTSB | |
| SCHEMBL8906690 | 0.73 | AKT1 (0.36) | AKT1ALDH1A1CTSSCTSLCTSB | |
| SCHEMBL10073706 | 0.73 | KMT2A (0.41) | RAB9AALDH1A1RIPK1 | |
| SCHEMBL5896966 | 0.73 | HRH3 (0.46) | AKT1RAB9AALDH1A1KDM4EMAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010091543-A1 | NOVEL HYDRAZINO-CYCLOBUT-3-ENE-1, 2-DIONE DERIVATIVES AS CXCR2 ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2010-08-19 | — | — | WO | disclosed |
| WO-2010091543-A1 | NOVEL HYDRAZINO-CYCLOBUT-3-ENE-1, 2-DIONE DERIVATIVES AS CXCR2 ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2010-08-19 | — | — | WO | disclosed |