Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.51 |
| ▸ | TSHR | P16473 | 4/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | PHGDH | O43175 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL52410 | 0.85 | ALDH1A1 (0.68) | ALDH1A1SMN1; SMN2TSHRMAPK1PHGDH | |
| SCHEMBL7642065 | 0.81 | ALDH1A1 (0.51) | ALDH1A1SMN1; SMN2TSHRMAPK1PHGDH | |
| SCHEMBL9679993 | 0.80 | SMN1; SMN2 (0.65) | ALDH1A1SMN1; SMN2TSHRMAPK1HPGD | |
| SCHEMBL10949372 | 0.80 | ALDH1A1 (0.65) | ALDH1A1SMN1; SMN2TSHRMAPK1PHGDH | |
| SCHEMBL11546415 | 0.79 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2TSHRMAPK1KMT2A | |
| SCHEMBL2223625 | 0.79 | ALDH1A1 (0.56) | ALDH1A1SMN1; SMN2TSHRMAPK1PHGDH | |
| SCHEMBL1594213 | 0.79 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2TSHRMAPK1PHGDH | |
| SCHEMBL11340621 | 0.77 | SMN1; SMN2 (0.65) | ALDH1A1SMN1; SMN2TSHRMAPK1HPGD | |
| SCHEMBL10430205 | 0.76 | ALDH1A1 (0.52) | ALDH1A1SMN1; SMN2TSHRMAPK1PHGDH | |
| SCHEMBL11078610 | 0.76 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2TSHRMAPK1PHGDH |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1109560-B1 | COMPOUNDS USEFUL AS AICARFT INHIBITORS | AGOURON PHARMA (US) | 2003-08-27 | — | — | EP | disclosed |
| US-6525050-B1 | Inhibit the enzyme aminoimidazole carboxamide ribonucleotide formyl transferase; antiproliferative agents; antitumor, antiinflammatory, antipsoriatic, and/or immunosuppressive | AGOURON PHARMACEUTICALS, INC. | 2003-02-25 | — | — | US | disclosed |
| EP-1109560-A4 | COMPOUNDS USEFUL AS AICARFT INHIBITORS | AGOURON PHARMA (US) | 2002-04-17 | — | — | EP | disclosed |
| EP-1109560-A1 | COMPOUNDS USEFUL AS AICARFT INHIBITORS | AGOURON PHARMACEUTICALS, INC. (US) | 2001-06-27 | — | — | EP | disclosed |
| WO-2000013688-A1 | COMPOUNDS USEFUL AS AICARFT INHIBITORS | AGOURON PHARMACEUTICALS, INC. (US) | 2000-03-16 | — | — | WO | disclosed |