Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | USP2 | O75604 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 3/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | RECQL | P46063 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL1496504 | 1.00 | TSHR (0.55) | TSHRUSP2LMNATP53SMN1; SMN2 | |
| SCHEMBL15007577 | 0.88 | ALDH1A1 (0.51) | LMNAKDM4EMAPK1S1PR1TDP1 | |
| SCHEMBL7798713 | 0.86 | KDM4E (0.51) | TSHRKDM4EMAPK1S1PR1TDP1 | |
| SCHEMBL1496740 | 0.86 | KDM4E (0.51) | TSHRKDM4EMAPK1S1PR1TDP1 | |
| SCHEMBL5713078 | 0.85 | S1PR1 (0.48) | TSHRUSP2LMNATP53SMN1; SMN2 | |
| SCHEMBL1496686 | 0.85 | MAPK1 (0.68) | TSHRUSP2LMNASMN1; SMN2KDM4E | |
| SCHEMBL7798686 | 0.85 | MAPK1 (0.68) | TSHRUSP2LMNASMN1; SMN2KDM4E | |
| SCHEMBL1496622 | 0.85 | CYP1A2 (0.53) | TSHRLMNAKDM4EMAPK1S1PR1 | |
| SCHEMBL7804281 | 0.84 | LMNA (0.56) | TSHRLMNAKDM4EMAPK1S1PR1 | |
| SCHEMBL1496573 | 0.84 | LMNA (0.56) | TSHRLMNAKDM4EMAPK1S1PR1 |
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-1104395-A1 | STEREOSELECTIVE RING OPENING REACTIONS | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2001-06-06 | — | — | EP | disclosed |
| WO-2000009463-A1 | STEREOSELECTIVE RING OPENING REACTIONS | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2000-02-24 | — | — | WO | disclosed |