Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | HK1 | P19367 | 2/20 | 0.53 |
| ▸ | HKDC1 | Q2TB90 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | TP53 | P04637 | 4/20 | 0.46 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.44 |
| ▸ | NTRK3 | Q16288 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 4/20 | 0.43 |
| ▸ | THRB | P10828 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL17680425 | 0.84 | NTRK1 (0.48) | ALDH1A1SMN1; SMN2TP53NTRK1NTRK3 | |
| SCHEMBL17680454 | 0.83 | ALDH1A1 (0.53) | ALDH1A1HK1HKDC1SMN1; SMN2TDP1 | |
| SCHEMBL17680532 | 0.82 | ALDH1A1 (0.52) | ALDH1A1HK1HKDC1SMN1; SMN2TDP1 | |
| SCHEMBL1598783 | 0.78 | ALDH1A1 (0.56) | ALDH1A1HK1HKDC1SMN1; SMN2TDP1 | |
| SCHEMBL8689468 | 0.75 | ALDH1A1 (0.55) | ALDH1A1HK1HKDC1SMN1; SMN2TDP1 | |
| SCHEMBL17674413 | 0.73 | KDM4E (0.43) | ALDH1A1TDP1TP53NTRK1NTRK3 | |
| SCHEMBL17680427 | 0.72 | NR1H2 (0.47) | ALDH1A1HSD17B10KDM4E | |
| SCHEMBL17674243 | 0.69 | NTRK1 (0.55) | SMN1; SMN2TP53NTRK1NTRK3LMNA | |
| SCHEMBL17680281 | 0.69 | NTRK1 (0.55) | SMN1; SMN2TP53NTRK1NTRK3LMNA | |
| SCHEMBL17680336 | 0.69 | NTRK1 (0.52) | ALDH1A1HK1HKDC1SMN1; SMN2TDP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016054807-A1 | TrkA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF | MERCK SHARP & DOHME CORP. (US) | 2016-04-14 | — | — | WO | disclosed |