Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.54 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 4/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | BRD4 | O60885 | 1/20 | 0.48 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.48 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.47 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL2795656 | 0.88 | ALDH1A1 (0.54) | ALDH1A1HSD17B1HSD17B2MAPTMEN1 | |
| SCHEMBL30622065 | 0.82 | HSD17B1 (0.75) | ALDH1A1HSD17B1HSD17B2MAPTMEN1 | |
| SCHEMBL2191052 | 0.82 | HSD17B1 (0.75) | ALDH1A1HSD17B1HSD17B2MAPTMEN1 | |
| SCHEMBL3959073 | 0.80 | FLT3 (0.54) | ALDH1A1HSD17B1HSD17B2MAPTMEN1 | |
| SCHEMBL3860865 | 0.80 | ALDH1A1 (0.54) | ALDH1A1HSD17B1HSD17B2MAPTMEN1 | |
| SCHEMBL7789182 | 0.78 | LMNA (0.50) | LMNASMN1; SMN2 | |
| SCHEMBL5718254 | 0.77 | CYP19A1 (0.67) | ALDH1A1MAPTMEN1KMT2APKM | |
| SCHEMBL4216922 | 0.77 | ALDH1A1 (0.51) | ALDH1A1HSD17B1HSD17B2MAPTMEN1 | |
| SCHEMBL4216929 | 0.77 | ALDH1A1 (0.51) | ALDH1A1HSD17B1HSD17B2MAPTMEN1 | |
| SCHEMBL10600631 | 0.77 | HTT (0.48) | ALDH1A1HSD17B1HSD17B2MAPTMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0957102-A1 | Heteroarylpiperidines and piperazines and their use as antipsychotics and analgetics | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1999-11-17 | — | — | EP | disclosed |