Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 3/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 5/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.44 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.44 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.44 |
| ▸ | DAO | P14920 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL11332370 | 0.85 | CYP2C19 (0.57) | CYP2C19CYP2C9POLBTDP1HPGD | |
| SCHEMBL559559 | 0.82 | TAAR1 (0.56) | CYP2C19CYP2C9POLBTDP1HPGD | |
| Glycolic Acid SCHEMBL11501012 | 0.80 | CYP2C19 (0.47) | CYP2C19CYP2C9POLBTDP1HPGD | |
| SCHEMBL621289 | 0.78 | — | — | |
| Glycolic Acid SCHEMBL17063501 | 0.78 | NPC1 (0.50) | CYP2C19CYP2C9POLBTDP1HPGD | |
| Ethylene Glycol SCHEMBL11811178 | 0.78 | CYP2C19 (0.53) | CYP2C19POLBTDP1HPGDLMNA | |
| SCHEMBL10484325 | 0.77 | CYP2C19 (0.57) | CYP2C19POLBTDP1HPGDLMNA | |
| Methane SCHEMBL7760510 | 0.77 | CYP2C19 (0.57) | CYP2C19POLBTDP1HPGDLMNA | |
| Hydrochloric Acid SCHEMBL1372448 | 0.77 | CYP2C19 (0.57) | CYP2C19POLBTDP1HPGDLMNA | |
| SCHEMBL9285235 | 0.77 | CYP2C19 (0.57) | CYP2C19POLBTDP1HPGDLMNA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5508370-A | POLYETHERURETHANE COPOLYMER; TEXTILE FINISH | BAYER AKTIENGESELLSCHAFT (DE) | 1996-04-16 | — | — | US | disclosed |