Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | HPGD | P15428 | 4/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.37 |
| ▸ | MAPT | P10636 | 4/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 3/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | PKM | P14618 | 2/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL17811141 | 0.81 | NPC1 (0.40) | TDP1ALDH1A1HPGDSMN1; SMN2MAPT | |
| SCHEMBL17280228 | 0.78 | ALDH1A1 (0.40) | ALDH1A1HPGDSMN1; SMN2MAPTKDM4E | |
| SCHEMBL15331207 | 0.78 | ALDH1A1 (0.36) | TDP1ALDH1A1HPGDSMN1; SMN2MAPT | |
| Hydrochloric Acid SCHEMBL10464924 | 0.75 | PDE4B (0.39) | ALDH1A1HPGDSMN1; SMN2MAPTKDM4E | |
| Hydrochloric Acid SCHEMBL10465026 | 0.73 | MAOB (0.40) | TDP1ALDH1A1HPGDSMN1; SMN2MAPT | |
| SCHEMBL27985279 | 0.70 | MAPK1 (0.40) | ALDH1A1SMN1; SMN2MAPTNPC1RAB9A | |
| SCHEMBL12578009 | 0.68 | TDP1 (0.67) | TDP1ALDH1A1HPGDSMN1; SMN2MAPT | |
| SCHEMBL5789196 | 0.67 | KDM4E (0.46) | ALDH1A1HPGDSMN1; SMN2MAPTKDM4E | |
| SCHEMBL11983826 | 0.66 | TDP1 (0.62) | TDP1ALDH1A1HPGDSMN1; SMN2MAPT | |
| SCHEMBL10064162 | 0.66 | TDP1 (0.62) | TDP1ALDH1A1HPGDSMN1; SMN2MAPT |
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-2016087615-A1 | NOVEL IMIDAZOLE-BASED HETEROCYCLIC COMPOUNDS | PROCOMCURE BIOTECH GMBH (AT) | 2016-06-09 | — | — | WO | disclosed |