Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.59 |
| ▸ | THPO | P40225 | 1/20 | 0.59 |
| ▸ | MAPT | P10636 | 5/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.56 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | APEX1 | P27695 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Cystamine SCHEMBL7768558 | 0.84 | TSHR (0.71) | TSHRTHPOMAPTTDP1EHMT2 | |
| SCHEMBL2913717 | 0.81 | — | — | |
| Cystamine SCHEMBL9559242 | 0.81 | TSHR (0.67) | TSHRTHPOMAPTTDP1EHMT2 | |
| 2-Mercaptoethanol SCHEMBL23092259 | 0.78 | TDP1 (0.41) | TDP1 | |
| Cysteamine SCHEMBL8469635 | 0.77 | — | — | |
| Monoethanolamine SCHEMBL9196214 | 0.77 | — | — | |
| Cystamine SCHEMBL3648870 | 0.77 | TSHR (1.00) | TSHRTHPOMAPTTDP1EHMT2 | |
| Cystamine SCHEMBL11040994 | 0.77 | — | — | |
| Cystamine SCHEMBL43866 | 0.77 | — | — | |
| SCHEMBL30463832 | 0.75 | — | — |
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-5403750-A | Polyetherurethanes modified with amine, mercpto or hydroxyl functional groups | W. R. GRACE & CO.-CONN. (US) | 1995-04-04 | — | — | US | disclosed |
| US-4940737-A | Biocompatible polyurethane three-dimensional hydrogels or foams | W. R. GRACE & CO.-CONN (US) | 1990-07-10 | — | — | US | disclosed |