Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SHBG | P04278 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA6 | P23280 | 1/20 | 0.41 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.39 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | SELL | P14151 | 1/20 | 0.39 |
| ▸ | SELP | P16109 | 1/20 | 0.39 |
| ▸ | SELE | P16581 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL68683 | 0.86 | AMY1A (0.53) | SHBGCA1CA2CA4CA6 | |
| SCHEMBL187792 | 0.85 | SHBG (0.52) | SHBGCA2AMY1AHSPA5SELL | |
| SCHEMBL286765 | 0.82 | SHBG (0.36) | SHBGAMY1AHSPA5HIF1ACYP2C9 | |
| SCHEMBL1502445 | 0.80 | CYP3A4 (0.58) | CA1CA2CA4CA6CYP3A4 | |
| SCHEMBL14008500 | 0.79 | SELL (0.59) | SHBGAMY1AHSPA5SELLSELP | |
| SCHEMBL866775 | 0.79 | SHBG (0.63) | SHBGCA1CA2AMY1AHSPA5 | |
| SCHEMBL1482608 | 0.79 | AMY1A (0.61) | SHBGCA2AMY1AHSPA5SELL | |
| SCHEMBL30558172 | 0.79 | SHBG (0.63) | SHBGCA1CA2AMY1AHSPA5 | |
| SCHEMBL210506 | 0.79 | AMY1A (0.61) | SHBGCA2AMY1AHSPA5SELL | |
| SCHEMBL31530705 | 0.79 | SELL (0.59) | SHBGAMY1AHSPA5SELLSELP |
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-0287328-B1 | PREPARATION OF CHROMOGENIC CRYPTAHEMISPHERANDS | Bayer Corporation (US) | 1993-10-06 | — | — | EP | disclosed |
| EP-0287328-A2 | Preparation of chromogenic cryptahemispherands | Bayer Corporation (US) | 1988-10-19 | — | — | EP | disclosed |