Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.82 |
| ▸ | TSHR | P16473 | 2/20 | 0.82 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.82 |
| ▸ | MEN1 | O00255 | 1/20 | 0.77 |
| ▸ | GLA | P06280 | 1/20 | 0.77 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.77 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.67 |
| ▸ | KDM1A | O60341 | 5/20 | 0.56 |
| ▸ | SAT1 | P21673 | 3/20 | 0.54 |
| ▸ | ADH1B | P00325 | 1/20 | 0.48 |
| ▸ | ADH1C | P00326 | 1/20 | 0.48 |
| ▸ | ADH1A | P07327 | 1/20 | 0.48 |
| ▸ | ADH7 | P40394 | 1/20 | 0.48 |
| ▸ | S1PR2 | O95136 | 5/20 | 0.41 |
| ▸ | S1PR4 | O95977 | 5/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.41 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.41 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL10045115 | 1.00 | CYP2C19 (0.82) | CYP2C19TSHRCYP1A2MEN1GLA | |
| SCHEMBL5319718 | 1.00 | CYP2C19 (0.82) | CYP2C19TSHRCYP1A2MEN1GLA | |
| SCHEMBL5847137 | 0.97 | TSHR (0.88) | CYP2C19TSHRCYP1A2MEN1GLA | |
| SCHEMBL20922334 | 0.97 | TSHR (0.88) | CYP2C19TSHRCYP1A2MEN1GLA | |
| SCHEMBL13895399 | 0.97 | TSHR (0.88) | CYP2C19TSHRCYP1A2MEN1GLA | |
| SCHEMBL4166725 | 0.97 | TSHR (0.88) | CYP2C19TSHRCYP1A2MEN1GLA | |
| SCHEMBL10045106 | 0.97 | TSHR (0.88) | CYP2C19TSHRCYP1A2MEN1GLA | |
| SCHEMBL24475235 | 0.94 | CYP2C19 (0.82) | CYP2C19TSHRCYP1A2MEN1GLA | |
| SCHEMBL21132324 | 0.94 | TSHR (0.82) | CYP2C19TSHRCYP1A2MEN1GLA | |
| SCHEMBL7207781 | 0.94 | TSHR (0.82) | CYP2C19TSHRCYP1A2MEN1GLA |
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 |
|---|---|---|---|---|---|---|---|
| US-6605645-B2 | Such as 1,15-di(cyclopropylmethylamino)-8-benzyl-4,8,12-triazapentadecane; carcinostatic action | RIKEN (JP) | 2003-08-12 | — | — | US | disclosed |
| US-20020067472-A1 | Linear polyamine compounds and polyamine anticancer agents | IWATA MASAAKI (JP) | 2002-06-06 | — | — | US | disclosed |