Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | FLT1 | P17948 | 1/20 | 0.43 |
| ▸ | FLT4 | P35916 | 1/20 | 0.43 |
| ▸ | KDR | P35968 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL7285743 | 0.86 | TDP1 (0.48) | ALDH1A1TDP1CES2POLBMAPT | |
| SCHEMBL7285749 | 0.86 | ALDH1A1 (0.48) | ALDH1A1TDP1CES2POLBMAPT | |
| SCHEMBL9420561 | 0.85 | CES2 (0.50) | ALDH1A1TDP1CES2POLBMAPT | |
| SCHEMBL6750268 | 0.80 | SMN1; SMN2 (0.65) | ALDH1A1TDP1CES2POLBMAPT | |
| SCHEMBL9502855 | 0.78 | CES2 (0.58) | ALDH1A1TDP1CES2POLBMAPT | |
| SCHEMBL11130755 | 0.78 | CES2 (0.58) | ALDH1A1TDP1CES2POLBMAPT | |
| SCHEMBL10426612 | 0.77 | PKM (0.51) | ALDH1A1TDP1CES2POLBMAPT | |
| Nornitrogen Mustard SCHEMBL8638765 | 0.76 | KDM4E (0.49) | ALDH1A1TDP1CES2POLBMAPT | |
| SCHEMBL11169142 | 0.76 | CES2 (0.56) | ALDH1A1TDP1CES2POLBMAPT | |
| SCHEMBL30179515 | 0.76 | CES2 (0.56) | ALDH1A1TDP1CES2POLBMAPT |
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-4908394-A | For polyurethane formation | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1990-03-13 | — | — | US | disclosed |
| EP-0300349-A1 | Non-fugitive diaminobenzoate catalytic chain extenders | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1989-01-25 | — | — | EP | disclosed |