Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6428738 | 0.76 | CYP3A4 (0.42) | CYP3A4CYP2C9CYP2C19GAASMN1; SMN2 | |
| SCHEMBL11769179 | 0.76 | CYP3A4 (0.42) | CYP3A4CYP2C9CYP2C19GAASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL3018965 | 0.76 | CYP3A4 (0.42) | CYP3A4CYP2C9CYP2C19GAASMN1; SMN2 | |
| SCHEMBL9304618 | 0.74 | CYP3A4 (0.41) | CYP3A4CYP2C9CYP2C19GAASMN1; SMN2 | |
| SCHEMBL12942616 | 0.74 | CYP3A4 (0.41) | CYP3A4CYP2C9CYP2C19GAASMN1; SMN2 | |
| SCHEMBL8961381 | 0.74 | CYP3A4 (0.40) | CYP3A4CYP2C9CYP2C19GAAMAPT | |
| SCHEMBL9614470 | 0.71 | TSHR (0.50) | CYP3A4CYP2C9CYP2C19GAAPOLB | |
| SCHEMBL11024087 | 0.70 | TSHR (0.43) | CYP3A4CYP2C9CYP2C19GAACA12 | |
| SCHEMBL8800000 | 0.69 | POLB (0.43) | CYP3A4CYP2C9CYP2C19GAASMN1; SMN2 | |
| SCHEMBL6488904 | 0.69 | TSHR (0.48) | CYP3A4CYP2C9CYP2C19GAAPOLB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6746662-B1 | TETRAAZA BASE HAVING SPACER AT EACH AMIDE GROUP AND A PROTON EXCHANGE ATTACHED TO EACH SPACER MOLECULE | BOARD OF REGENTS THE UNIVERSITY OF TEXAS SYSTEM | 2004-06-08 | — | — | US | disclosed |
| WO-2000047111-A9 | PH SENSITIVE MRI CONTRAST AGENTS | UNIV TEXAS (US) | 2001-09-20 | — | — | WO | disclosed |
| WO-2000047111-A1 | PH SENSITIVE MRI CONTRAST AGENTS | BOARD OF REGENTS THE UNIVERSITY OF TEXAS SYSTEM (US) | 2000-08-17 | — | — | WO | disclosed |