Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.68 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.68 |
| ▸ | TSHR | P16473 | 2/20 | 0.68 |
| ▸ | S100B | P04271 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 2/20 | 0.40 |
| ▸ | AR | P10275 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Orthotolidine SCHEMBL20957476 | 1.00 | ALDH1A1 (0.68) | ALDH1A1TDP1CYP3A4TSHRS100B | |
| SCHEMBL137005 | 0.89 | ALDH1A1 (0.50) | ALDH1A1TDP1CYP3A4TSHRMAPT | |
| SCHEMBL29404321 | 0.89 | ALDH1A1 (0.50) | ALDH1A1TDP1CYP3A4TSHRMAPT | |
| Hydrochloric Acid SCHEMBL866325 | 0.87 | ALDH1A1 (0.48) | ALDH1A1TDP1CYP3A4TSHRMAPT | |
| Hydrochloric Acid SCHEMBL30932775 | 0.87 | ALDH1A1 (0.48) | ALDH1A1TDP1CYP3A4TSHRMAPT | |
| Methane SCHEMBL2801477 | 0.87 | ALDH1A1 (0.48) | ALDH1A1TDP1CYP3A4TSHRMAPT | |
| Water SCHEMBL28164366 | 0.87 | ALDH1A1 (0.53) | ALDH1A1TDP1CYP3A4TSHRMAPT | |
| SCHEMBL29764018 | 0.85 | ALDH1A1 (0.47) | ALDH1A1TDP1CYP3A4TSHRMAPT | |
| SCHEMBL310565 | 0.85 | ALDH1A1 (0.47) | ALDH1A1TDP1CYP3A4TSHRMAPT | |
| Orthotolidine SCHEMBL29386552 | 0.82 | CYP3A4 (1.00) | ALDH1A1TDP1CYP3A4TSHRS100B |
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-4144027-A | SHRINKPROOFING KERATIN-CONTAINING FABRICS BY REACTION WITH A POLYETHER POLYOL AND A DIISOCYANATE | MILLIKEN RESEARCH CORPORATION (US) | 1979-03-13 | — | — | US | disclosed |