Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.57 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | AURKA | O14965 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | ABL1 | P00519 | 1/20 | 0.43 |
| ▸ | BCR | P11274 | 1/20 | 0.43 |
| ▸ | SRC | P12931 | 1/20 | 0.43 |
| ▸ | GRM5 | P41594 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Methyl Nicotinate SCHEMBL3086138 | 0.79 | ALDH1A1 (0.96) | ALDH1A1KMT2AHPGDHSD17B10TSHR | |
| SCHEMBL6542858 | 0.79 | KDM4E (0.60) | ALDH1A1KMT2ARAB9AHPGDKDM4E | |
| SCHEMBL10642215 | 0.78 | KDM4E (0.56) | ALDH1A1KMT2ARAB9AHPGDHSD17B10 | |
| Methyl Nicotinate SCHEMBL29386553 | 0.77 | ALDH1A1 (1.00) | ALDH1A1KMT2AHPGDHSD17B10TSHR | |
| Methyl Nicotinate SCHEMBL24566 | 0.77 | ALDH1A1 (1.00) | ALDH1A1KMT2AHPGDHSD17B10TSHR | |
| Methyl Nicotinate SCHEMBL820747 | 0.77 | ALDH1A1 (1.00) | ALDH1A1KMT2AHPGDHSD17B10TSHR | |
| SCHEMBL4892327 | 0.77 | SMN1; SMN2 (0.45) | ALDH1A1RAB9AHPGDKDM4EHTT | |
| Methyl Nicotinate SCHEMBL28247726 | 0.76 | ALDH1A1 (0.89) | ALDH1A1KMT2AHPGDHSD17B10TSHR | |
| Methyl Nicotinate SCHEMBL11491005 | 0.76 | ALDH1A1 (0.96) | ALDH1A1KMT2AHPGDHSD17B10TSHR | |
| Methyl Nicotinate SCHEMBL30541951 | 0.76 | ALDH1A1 (0.96) | ALDH1A1KMT2AHPGDHSD17B10TSHR |
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-1737852-A2 | POLYCYCLIC PYRIDINES AS POTASSIUM ION CHANNEL MODULATORS | Icagen, Inc. (US) | 2007-01-03 | — | — | EP | disclosed |
| WO-2005100349-A2 | POLYCYCLIC PYRIDINES AS POTASSIUM ION CHANNEL MODULATORS | ICAGEN, INC. (US) | 2005-10-27 | — | — | WO | disclosed |