Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | SRD5A2 | P31213 | 4/20 | 0.48 |
| ▸ | CA1 | P00915 | 3/20 | 0.46 |
| ▸ | CA2 | P00918 | 3/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA3 | P07451 | 1/20 | 0.46 |
| ▸ | TYR | P14679 | 1/20 | 0.46 |
| ▸ | DRD1 | P21728 | 1/20 | 0.46 |
| ▸ | CA4 | P22748 | 1/20 | 0.46 |
| ▸ | CA6 | P23280 | 1/20 | 0.46 |
| ▸ | CA5A | P35218 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | TPMT | P51580 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6656414 | 0.91 | CA1 (0.41) | TSHRTP53CA1CA2CA12 | |
| SCHEMBL15129970 | 0.85 | TSHR (0.67) | TSHRTP53ALOX15SRD5A2CA1 | |
| SCHEMBL110030 | 0.85 | TSHR (0.67) | TSHRTP53ALOX15SRD5A2CA1 | |
| SCHEMBL1269049 | 0.85 | TSHR (0.67) | TSHRTP53ALOX15SRD5A2CA1 | |
| SCHEMBL1151641 | 0.84 | LMNA (0.58) | TSHRTP53ALDH1A1SMN1; SMN2NAPRT | |
| SCHEMBL28164884 | 0.83 | TSHR (0.63) | TSHRTP53ALOX15SRD5A2CA1 | |
| Methane SCHEMBL5609245 | 0.82 | LMNA (0.56) | TSHRTP53ALOX15CA1CA12 | |
| SCHEMBL21879688 | 0.81 | TSHR (0.60) | TSHRTP53ALOX15SRD5A2CA1 | |
| SCHEMBL8610485 | 0.81 | TSHR (0.60) | TSHRTP53ALOX15SRD5A2CA1 | |
| SCHEMBL9788350 | 0.81 | TSHR (0.60) | TSHRTP53ALOX15SRD5A2CA1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1592729-A | Process for preparing pentacene derivatives | 3M INNOVATIVE PROPERTIES CO (US) | 2005-03-09 | — | — | CN | disclosed |
| EP-1433211-A2 | SUBSTITUTED PENTACENE SEMICONDUCTORS | 3M Innovative Properties Company (US) | 2004-06-30 | — | — | EP | disclosed |
| EP-1430008-A2 | PROCESS FOR PREPARING PENTACENE DERIVATIVES | 3M Innovative Properties Company (US) | 2004-06-23 | — | — | EP | disclosed |
| WO-2003028125-A2 | SUBSTITUTED PENTACENE SEMICONDUCTORS | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2003-04-03 | — | — | WO | disclosed |
| WO-2003027050-A2 | PROCESS FOR PREPARING PENTACENE DERIVATIVES | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2003-04-03 | — | — | WO | disclosed |