Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 2/20 | 0.36 |
| ▸ | TDO2 | P48775 | 1/20 | 0.36 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.34 |
| ▸ | CETP | P11597 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8678235 | 0.90 | CYP2C19 (0.41) | CYP2C19HPGDIDO1TDO2P2RX7 | |
| Butadiene SCHEMBL8677363 | 0.86 | CYP2C19 (0.42) | CYP2C19HPGDIDO1TDO2P2RX7 | |
| SCHEMBL8677079 | 0.85 | HPGD (0.41) | CYP2C19HPGDNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL8677100 | 0.81 | HPGD (0.34) | CYP2C19HPGDP2RX7NPC1RAB9A | |
| SCHEMBL8677463 | 0.76 | TSHR (0.30) | — | |
| SCHEMBL8678600 | 0.75 | POLB (0.30) | — | |
| SCHEMBL8463320 | 0.75 | CYP2C19 (0.39) | CYP2C19HPGDP2RX7NPC1RAB9A | |
| SCHEMBL8679227 | 0.70 | — | — | |
| SCHEMBL8678016 | 0.70 | HPGD (0.36) | CYP2C19HPGDP2RX7NPC1RAB9A | |
| SCHEMBL8678565 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5770538-A | Group 4 metal diene complexes and addition polymerization catalysts therefrom | THE DOW CHEMICAL COMPANY (US) | 1998-06-23 | — | — | US | disclosed |
| US-5539068-A | Group 4, metal-conjugated diene metallocyclopentene complexes, and addition polymerization catalysts therefrom | THE DOW CHEMICAL COMPANY (US) | 1996-07-23 | — | — | US | disclosed |
| US-5486632-A | Group 4 metal diene complexes and addition polymerization catalysts therefrom | THE DOW CHEMICAL COMPANY (US) | 1996-01-23 | — | — | US | disclosed |