Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL19175047 | 0.85 | ALDH1A1 (0.47) | ALDH1A1TSHRCYP3A4RECQLHTT | |
| SCHEMBL18579854 | 0.79 | AXL (0.39) | ALDH1A1CYP3A4MAPTTDP1NPC1 | |
| SCHEMBL18579852 | 0.79 | AXL (0.39) | ALDH1A1CYP3A4MAPTTDP1NPC1 | |
| SCHEMBL28762606 | 0.79 | ALDH1A1 (0.53) | ALDH1A1TSHRCYP3A4RECQLHTT | |
| SCHEMBL7521309 | 0.78 | ALDH1A1 (0.50) | ALDH1A1TSHRCYP3A4RECQLHTT | |
| SCHEMBL14662012 | 0.77 | ALDH1A1 (0.51) | ALDH1A1TSHRCYP3A4RECQLHTT | |
| SCHEMBL5464766 | 0.77 | ALDH1A1 (0.59) | ALDH1A1TSHRCYP3A4RECQLHTT | |
| SCHEMBL14944888 | 0.75 | ALDH1A1 (0.53) | ALDH1A1TSHRCYP3A4RECQLHTT | |
| SCHEMBL14661914 | 0.75 | ALDH1A1 (0.49) | ALDH1A1TSHRCYP3A4RECQLHTT | |
| SCHEMBL17704660 | 0.73 | ALDH1A1 (0.58) | ALDH1A1TSHRCYP3A4RECQLHTT |
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 |
|---|---|---|---|---|---|---|---|
| EP-1171127-A2 | PHARMACEUTICAL COMPOSITIONS CONTAINING PYRIDINE OR PYRIMIDINE DERIVATIVES FOR INHIBITION OF CYTOKINE PRODUCTION AND SECRETION | Targacept, Inc. (US) | 2002-01-16 | — | — | EP | disclosed |
| WO-2000062767-A2 | PHARMACEUTICAL COMPOSITIONS CONTAINING PYRIDINE OR PYRIMIDINE DERIVATES FOR INHIBITION OF CYTOKINE PRODUCTION AND SECRETION | TARGACEPT, INC. (US) | 2000-10-26 | — | — | WO | disclosed |