Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR17 | Q13304 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | IAPP | P10997 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.35 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL14988768 | 0.84 | NPSR1 (0.57) | GPR17HRH3NPSR1KDM4EKMT2A | |
| SCHEMBL11099663 | 0.84 | KDM4E (0.44) | GPR17HRH3NPSR1LMNAKDM4E | |
| SCHEMBL6017716 | 0.84 | GPR17 (0.41) | GPR17HRH3NPSR1LMNAKDM4E | |
| SCHEMBL7193838 | 0.81 | ALDH1A1 (0.42) | GPR17HRH3NPSR1LMNAKDM4E | |
| SCHEMBL27986523 | 0.79 | ALDH1A1 (0.36) | NPSR1LMNAALDH1A1KMT2AMEN1 | |
| SCHEMBL1697848 | 0.79 | GPR17 (0.39) | GPR17HRH3NPSR1LMNAKDM4E | |
| SCHEMBL28030638 | 0.79 | KMT2A (0.46) | NPSR1KMT2AIAPPTDP1L3MBTL1 | |
| SCHEMBL3670255 | 0.78 | FABP4 (0.50) | GPR17NPSR1KDM4EKMT2AMEN1 | |
| SCHEMBL2441173 | 0.78 | GPR17 (0.38) | GPR17HRH3NPSR1LMNAALDH1A1 | |
| SCHEMBL27986393 | 0.78 | ALDH1A1 (0.37) | NPSR1LMNAALDH1A1MAPTIAPP |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4260760-A | BACTERICIDES, ALGICIDES | MERCK & CO., INC. (US) | 1981-04-07 | — | — | US | disclosed |
| US-4172094-A | Polyamine compounds | MERCK & CO., INC. (US) | 1979-10-23 | — | — | US | disclosed |
| US-4079059-A | ANTIMICROBIAL, ALGAE INHIBITORS | MERCK & CO., INC. (US) | 1978-03-14 | — | — | US | disclosed |
| US-4070400-A | MICROBIOCIDES, ALGICIDES | MERCK & CO., INC. (US) | 1978-01-24 | — | — | US | disclosed |
| US-4061775-A | Polyamine compounds as antibacterial agents | MERCK & CO., INC. (US) | 1977-12-06 | — | — | US | disclosed |
| US-4058624-A | Broad spectrum antibacterial compositions containing tris (hydroxymethyl)-aminomethane and diphenyl and loweralkyl substituted diphenyl polyamines | MERCK & CO., INC. (US) | 1977-11-15 | — | — | US | disclosed |