Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | MMP13 | P45452 | 1/20 | 0.38 |
| ▸ | CTSK | P43235 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4741612 | 0.79 | ALDH1A1 (0.68) | ALDH1A1KMT2AMEN1CYP3A4CYP2C9 | |
| SCHEMBL439206 | 0.75 | ALDH1A1 (0.47) | ALDH1A1KMT2AMEN1CYP3A4CYP2C9 | |
| SCHEMBL436802 | 0.71 | KMT2A (0.46) | ALDH1A1KMT2AMEN1RECQLTDP1 | |
| SCHEMBL23555194 | 0.70 | ALDH1A1 (0.57) | ALDH1A1KMT2AMEN1CYP3A4CYP2C9 | |
| SCHEMBL18045689 | 0.70 | ALDH1A1 (0.71) | ALDH1A1KMT2AMEN1CYP3A4CYP2C9 | |
| SCHEMBL507150 | 0.70 | ALDH1A1 (0.71) | ALDH1A1KMT2AMEN1CYP3A4CYP2C9 | |
| SCHEMBL15218273 | 0.69 | ALDH1A1 (0.46) | ALDH1A1KMT2AMEN1CYP3A4CYP2C9 | |
| SCHEMBL13748831 | 0.68 | ALDH1A1 (0.58) | ALDH1A1KMT2AMEN1CYP3A4LMNA | |
| SCHEMBL12023313 | 0.68 | MMP2 (0.52) | ALDH1A1KMT2AMEN1CYP3A4CYP2C9 | |
| SCHEMBL564467 | 0.67 | ALDH1A1 (0.64) | ALDH1A1KMT2AMEN1CYP3A4CYP2C9 |
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-5417959-A | Functionalized aza-crytand ligands for diagnostic imaging applications | MALLINCKRODT MEDICAL, INC. (US) | 1995-05-23 | — | — | US | disclosed |
| WO-1995010217-A2 | FUNCTIONALIZED AZA-CRYPTAND LIGANDS FOR IMAGING APPLICATIONS | MALLINCKRODT MEDICAL, INC. (US) | 1995-04-20 | — | — | WO | disclosed |