Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | TGM2 | P21980 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | PSMB11 | A5LHX3 | 1/20 | 0.42 |
| ▸ | PSMA7 | O14818 | 1/20 | 0.42 |
| ▸ | PSMB1 | P20618 | 1/20 | 0.42 |
| ▸ | PSMA1 | P25786 | 1/20 | 0.42 |
| ▸ | PSMA2 | P25787 | 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 | |
|---|---|---|---|---|
| SCHEMBL7656834 | 0.85 | HDAC2 (0.63) | ALDH1A1HTTSMN1; SMN2HDAC3HDAC4 | |
| SCHEMBL831097 | 0.81 | HDAC3 (0.67) | ALDH1A1HTTSMN1; SMN2HDAC3HDAC4 | |
| Styrene SCHEMBL9776463 | 0.80 | ALDH1A1 (0.50) | ALDH1A1TSHRTGM2HDAC3HDAC4 | |
| Styrene SCHEMBL28863416 | 0.79 | ALDH1A1 (0.54) | ALDH1A1TSHRTGM2HDAC3HDAC4 | |
| Styrene SCHEMBL11036516 | 0.78 | ALDH1A1 (0.40) | ALDH1A1TSHRTGM2HTTSMN1; SMN2 | |
| Styrene SCHEMBL26133544 | 0.78 | ALDH1A1 (0.64) | ALDH1A1TSHRTGM2SMN1; SMN2HDAC3 | |
| Styrene SCHEMBL17534942 | 0.78 | TGM2 (0.81) | ALDH1A1TSHRTGM2MMP1MMP2 | |
| Styrene SCHEMBL679822 | 0.78 | ALDH1A1 (0.70) | ALDH1A1TSHRTGM2SMN1; SMN2HDAC3 | |
| Styrene SCHEMBL60237 | 0.78 | ALDH1A1 (0.70) | ALDH1A1TSHRTGM2SMN1; SMN2HDAC3 | |
| Styrene SCHEMBL11061627 | 0.78 | ALDH1A1 (0.70) | ALDH1A1TSHRTGM2SMN1; SMN2HDAC3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0140519-A1 | Use of chelating agents in water desalination | PFIZER INC. (US) | 1985-05-08 | — | — | EP | claimed |
| US-5631309-A | MIXTURE OF DYE AND POLYMER WHICH CAN UNDERGO DECARBOXYLATION; WATERPROOFING; NONSCORCHING AND NONSTICKING | KAO CORPORATION (JP) | 1997-05-20 | — | — | US | disclosed |