Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.32 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 3/20 | 0.31 |
| ▸ | RAB9A | P51151 | 3/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.31 |
| ▸ | RELA | Q04206 | 1/20 | 0.31 |
| ▸ | CTSL | P07711 | 1/20 | 0.30 |
| ▸ | CTSB | P07858 | 1/20 | 0.30 |
| ▸ | CTSK | P43235 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8679309 | 0.93 | ALDH1A1 (0.34) | ALDH1A1CYP1A2CYP2C9CYP2C19LMNA | |
| Butadiene SCHEMBL8678930 | 0.91 | ALDH1A1 (0.32) | ALDH1A1CYP1A2CYP2C9CYP2C19LMNA | |
| SCHEMBL8678170 | 0.89 | ALDH1A1 (0.32) | ALDH1A1CYP1A2CYP2C9CYP2C19LMNA | |
| SCHEMBL8680548 | 0.85 | HPGD (0.38) | ALDH1A1CYP2C19LMNAHTTNPC1 | |
| SCHEMBL9004286 | 0.85 | — | — | |
| SCHEMBL8678088 | 0.83 | — | — | |
| SCHEMBL8679107 | 0.82 | — | — | |
| SCHEMBL8678698 | 0.73 | RAB9A (0.33) | ALDH1A1CYP1A2CYP2C9CYP2C19LMNA | |
| SCHEMBL8466580 | 0.72 | ALDH1A1 (0.32) | ALDH1A1CYP1A2CYP2C9CYP2C19LMNA | |
| SCHEMBL8678528 | 0.71 | HTT (0.37) | ALDH1A1LMNAMAPTTDP1HTT |
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 |
|---|---|---|---|---|---|---|---|
| US-5770538-A | Group 4 metal diene complexes and addition polymerization catalysts therefrom | THE DOW CHEMICAL COMPANY (US) | 1998-06-23 | — | — | 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 |