Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.32 |
| ▸ | NPY1R | P25929 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.31 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.31 |
| ▸ | CYTH2 | Q99418 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Trifluoromethanesulfonic Acid SCHEMBL7749018 | 1.00 | ALDH1A1 (0.39) | ALDH1A1TDP1TSHRKDM4EHPGD | |
| SCHEMBL801243 | 0.86 | ALDH1A1 (0.50) | ALDH1A1TDP1TSHRKDM4EHPGD | |
| SCHEMBL27417077 | 0.83 | ALDH1A1 (0.44) | ALDH1A1TDP1TSHRKDM4EHPGD | |
| SCHEMBL28076682 | 0.78 | ALDH1A1 (0.42) | ALDH1A1TDP1TSHRKDM4EHPGD | |
| SCHEMBL30197316 | 0.72 | ALDH1A1 (0.54) | ALDH1A1TDP1TSHRHPGDCYP3A4 | |
| SCHEMBL843559 | 0.72 | ALDH1A1 (0.54) | ALDH1A1TDP1TSHRHPGDCYP3A4 | |
| SCHEMBL31481297 | 0.72 | ABCC8 (0.36) | ALDH1A1TDP1KDM4EGPR35MEN1 | |
| SCHEMBL7239084 | 0.72 | ABCC8 (0.36) | ALDH1A1TDP1KDM4EGPR35MEN1 | |
| Ammonia Solution, Strong SCHEMBL27851817 | 0.71 | ALDH1A1 (0.52) | ALDH1A1TDP1TSHRHPGDCYP3A4 | |
| SCHEMBL28913786 | 0.71 | ALDH1A1 (0.44) | ALDH1A1TDP1TSHRKDM4EHPGD |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0984932-A4 | PROCESS FOR THE SYNTHESIS OF RIBONUCLEOTIDE REDUCTASE INHIBITORS 3-AP AND 3-AMP | VION PHARMACEUTICALS INC (US) | 2001-04-04 | — | — | EP | disclosed |
| EP-0984932-A1 | PROCESS FOR THE SYNTHESIS OF RIBONUCLEOTIDE REDUCTASE INHIBITORS 3-AP AND 3-AMP | Vion Pharmaceuticals, Inc. (US) | 2000-03-15 | — | — | EP | disclosed |
| US-5869676-A | Process for the synthesis of ribonucleotide reductase inhibitors 3-AP and 3-AMP | VION PHARMACEUTICALS, INC. (US) | 1999-02-09 | — | — | US | disclosed |
| WO-1998051670-A1 | PROCESS FOR THE SYNTHESIS OF RIBONUCLEOTIDE REDUCTASE INHIBITORS 3-AP AND 3-AMP | VION PHARMACEUTICALS, INC. (US) | 1998-11-19 | — | — | WO | disclosed |