Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | CTSB | P07858 | 1/20 | 0.47 |
| ▸ | CRHBP | P24387 | 1/20 | 0.47 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | STAT6 | P42226 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | PHLPP2 | Q6ZVD8 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | PTGES | O14684 | 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 | |
|---|---|---|---|---|
| SCHEMBL15461976 | 0.89 | ALDH1A1 (0.69) | ALDH1A1TDP1CRHBPCRHR2MAPK1 | |
| SCHEMBL5069290 | 0.85 | TDP1 (0.51) | ALDH1A1TDP1CTSBCRHBPCRHR2 | |
| SCHEMBL32662713 | 0.85 | ALDH1A1 (0.51) | ALDH1A1TDP1CTSBCRHBPCRHR2 | |
| SCHEMBL28827487 | 0.85 | ALDH1A1 (0.51) | ALDH1A1TDP1CTSBCRHBPCRHR2 | |
| SCHEMBL22007056 | 0.83 | ALDH1A1 (0.67) | ALDH1A1TDP1CRHBPCRHR2MAPK1 | |
| SCHEMBL8964813 | 0.82 | ALDH1A1 (0.51) | ALDH1A1TDP1CTSBCRHBPCRHR2 | |
| SCHEMBL29430733 | 0.79 | ALDH1A1 (0.61) | ALDH1A1TDP1CTSBCRHBPCRHR2 | |
| SCHEMBL100456 | 0.79 | ALDH1A1 (0.61) | ALDH1A1TDP1CTSBCRHBPCRHR2 | |
| SCHEMBL15790413 | 0.79 | ALDH1A1 (0.61) | ALDH1A1TDP1CTSBCRHBPCRHR2 | |
| SCHEMBL9452645 | 0.78 | ALDH1A1 (0.52) | ALDH1A1CTSBMAPK1CYP1A2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1319231-A4 | PROGRAMMABLE MOLECULAR DEVICE | UNIV WM MARSH RICE (US) | 2008-11-19 | — | — | EP | disclosed |
| CN-1535466-A | Programmable molecular device | WM����ʲ��˹��ѧ | 2004-10-06 | — | — | CN | disclosed |
| EP-1319231-A1 | PROGRAMMABLE MOLECULAR DEVICE | Wm. MARSH RICE UNIVERSITY (US) | 2003-06-18 | — | — | EP | disclosed |
| US-20030058697-A1 | Programmable molecular device | NAVY, SECRETARY OF THE, UNITED STATES OF AMERICA OFFICE OF NAVAL RESEARCH | 2003-03-27 | — | — | US | disclosed |
| WO-2002009117-A1 | PROGRAMMABLE MOLECULAR DEVICE | WM. MARSH RICE UNIVERSITY (US) | 2002-01-31 | — | — | WO | disclosed |