Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | PSMB5 | P28074 | 4/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.41 |
| ▸ | CTSL | P07711 | 1/20 | 0.40 |
| ▸ | VNN1 | O95497 | 1/20 | 0.39 |
| ▸ | PSMB1 | P20618 | 2/20 | 0.39 |
| ▸ | PSMB2 | P49721 | 2/20 | 0.39 |
| ▸ | PSMB11 | A5LHX3 | 1/20 | 0.38 |
| ▸ | PSMA7 | O14818 | 1/20 | 0.38 |
| ▸ | PSMA1 | P25786 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3048473 | 0.77 | ALDH1A1 (0.50) | MEN1ALDH1A1HPGDKMT2ACYP1A2 | |
| SCHEMBL19179481 | 0.76 | CYP1A2 (0.58) | MEN1ALDH1A1HPGDKMT2ACYP1A2 | |
| SCHEMBL8308573 | 0.74 | GRIN2D (0.67) | HPGDCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL13523744 | 0.74 | MAOA (0.44) | ALDH1A1HPGDCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL13200763 | 0.74 | KDM4E (0.46) | HPGDCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL27834814 | 0.74 | GRIN2D (0.41) | MEN1ALDH1A1HPGDKMT2ACYP1A2 | |
| SCHEMBL4981467 | 0.73 | EPHX1 (0.60) | CYP1A2SLC6A2SLC6A4SLC6A3CYP2D6 | |
| Hydrochloric Acid SCHEMBL9814518 | 0.73 | CYP2C9 (0.43) | MEN1ALDH1A1HPGDKMT2ACYP1A2 | |
| SCHEMBL20703034 | 0.71 | KMT2A (0.48) | MEN1ALDH1A1KMT2ACYP1A2CYP3A4 | |
| SCHEMBL28117672 | 0.71 | ALDH1A1 (0.57) | MEN1ALDH1A1HPGDKMT2ACYP1A2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6583280-B1 | Antitumor tetraamines; chiral compounds conformationally restricted polyamine analogues; diminish the ability to aggregate DNA seen in the parent polyamines; spermine, norspermine, cyclospermine analogues; 1,4-diazocines | SAAB-ISHMAIL NADA H (US) | 2003-06-24 | — | — | US | disclosed |