Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL24501680 | 0.81 | IDO1 (0.46) | IDO1THRBALDH1A1ALOX12HPGD | |
| SCHEMBL1793161 | 0.77 | ALDH1A1 (0.46) | IDO1THRBALDH1A1ALOX12HPGD | |
| SCHEMBL1348045 | 0.77 | ALDH1A1 (0.46) | IDO1THRBALDH1A1ALOX12HPGD | |
| SCHEMBL16735543 | 0.76 | IDO1 (0.50) | IDO1THRBALDH1A1ALOX12HPGD | |
| SCHEMBL3085177 | 0.75 | NPC1 (0.48) | IDO1THRBALDH1A1MEN1KMT2A | |
| SCHEMBL12286877 | 0.74 | AOC3 (0.50) | IDO1THRBALDH1A1MEN1KMT2A | |
| SCHEMBL8215112 | 0.74 | TSHR (0.54) | IDO1THRBALDH1A1MEN1KMT2A | |
| SCHEMBL3075241 | 0.74 | ALOX12 (0.48) | IDO1THRBALDH1A1ALOX12HPGD | |
| Hydrochloric Acid SCHEMBL607788 | 0.72 | ALDH1A1 (0.52) | IDO1THRBALDH1A1MEN1KMT2A | |
| SCHEMBL3081123 | 0.71 | ALOX12 (0.50) | IDO1THRBALDH1A1ALOX12HPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-1308447-A1 | Purine derivatives having antiproliferative properties and biological uses thereof | Centre National de la Recherche Scientifique (C.N.R.S.) (FR) | 2003-05-07 | — | — | EP | claimed |
| EP-0874847-A1 | NOVEL PURINE DERIVATIVES HAVING, IN PARTICULAR, ANTIPROLIFERATIVE PROPERTIES, AND BIOLOGICAL USES THEREOF | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 1998-11-04 | — | — | EP | claimed |
| WO-1997020842-A1 | NOVEL PURINE DERIVATIVES HAVING, IN PARTICULAR, ANTIPROLIFERATIVE PROPERTIES, AND BIOLOGICAL USES THEREOF | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) | 1997-06-12 | — | — | WO | claimed |