Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 4/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | ERN1 | O75460 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.34 |
| ▸ | HTT | P42858 | 3/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.32 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.32 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4070781 | 0.75 | TDP1 (0.39) | MEN1KMT2ACYP1A2CYP3A4CYP2C19 | |
| SCHEMBL2602424 | 0.75 | ALDH1A1 (0.39) | MEN1KMT2ACYP1A2CYP3A4CYP2C19 | |
| SCHEMBL1437304 | 0.75 | MEN1 (0.53) | MEN1KMT2ACYP1A2CYP3A4CYP2C19 | |
| SCHEMBL16742973 | 0.75 | MEN1 (0.38) | MEN1KMT2ACYP1A2CYP3A4CYP2C19 | |
| SCHEMBL1699168 | 0.75 | ERN1 (0.41) | MEN1KMT2ACYP1A2CYP3A4CYP2C19 | |
| SCHEMBL997756 | 0.75 | PIN1 (0.41) | MEN1KMT2ACYP1A2CYP3A4CYP2C19 | |
| SCHEMBL4874074 | 0.75 | ALDH1A1 (0.41) | MEN1KMT2ACYP1A2CYP3A4CYP2C19 | |
| Hydrochloric Acid SCHEMBL31546288 | 0.73 | MEN1 (0.51) | MEN1KMT2ACYP1A2CYP3A4CYP2C19 | |
| SCHEMBL8297019 | 0.71 | MEN1 (0.38) | MEN1KMT2ACYP1A2CYP3A4CYP2C19 | |
| SCHEMBL1240712 | 0.71 | PIN1 (0.42) | MEN1KMT2ACYP1A2CYP3A4CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-4057634-A | Antiprotozoal(1-alkyl-5-nitro-imidazolyl-2-alkyl)-pyridazines | HOECHST AKTIENGESELLSCHAFT (DT) | 1977-11-08 | — | — | US | disclosed |
| US-3991191-A | Antiprotozoal (1-alkyl-5-nitro-imidazolyl-2-alkyl)-pyrimidines | HOECHST AKTIENGESELLSCHAFT (DT) | 1976-11-09 | — | — | US | disclosed |