Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | RHOA | P61586 | 1/20 | 0.38 |
| ▸ | LNPEP | Q9UIQ6 | 4/20 | 0.38 |
| ▸ | ERAP2 | Q6P179 | 3/20 | 0.38 |
| ▸ | ERAP1 | Q9NZ08 | 3/20 | 0.38 |
| ▸ | LTA4H | P09960 | 1/20 | 0.38 |
| ▸ | MMP1 | P03956 | 2/20 | 0.37 |
| ▸ | MMP3 | P08254 | 2/20 | 0.37 |
| ▸ | MMP9 | P14780 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | CCR1 | P32246 | 2/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL1246347 | 0.95 | MMP2 (0.42) | MMP2RHOALNPEPERAP2ERAP1 | |
| Trifluoroacetic Acid SCHEMBL1246150 | 0.85 | MMP2 (0.40) | MMP2LNPEPERAP2ERAP1LTA4H | |
| Trifluoroacetic Acid SCHEMBL1245992 | 0.81 | HDAC1 (0.46) | — | |
| SCHEMBL1244303 | 0.80 | HDAC1 (0.49) | LTA4HMMP3KDM4ENPC1RAB9A | |
| SCHEMBL1246051 | 0.80 | HDAC1 (0.49) | LTA4HMMP3KDM4ENPC1RAB9A | |
| SCHEMBL1245469 | 0.80 | HDAC1 (0.49) | LTA4HMMP3KDM4ENPC1RAB9A | |
| SCHEMBL1246389 | 0.80 | HDAC1 (0.49) | LTA4HMMP3KDM4ENPC1RAB9A | |
| SCHEMBL4952247 | 0.80 | KDM4E (0.51) | RHOALNPEPERAP2LTA4HKDM4E | |
| SCHEMBL1246107 | 0.79 | LNPEP (0.42) | MMP2LNPEPERAP2ERAP1LTA4H | |
| SCHEMBL1245377 | 0.78 | HDAC1 (0.40) | MMP2LNPEPERAP2ERAP1LTA4H |
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-7893020-B2 | can be coadministered with antimicrobial agents for treatment of infections caused by drug resistant bacteria; 2-Amino-N-{4-Amino-1-[-3-phenyl-1-(R)-(quinolin-3-ylcarbomoyl)-propylcarbamoyl]-butyl}succinamic acid; 2,5-Diamino-pentanoic acid [3-phenyl-1-(R)-(4-phenyl-thiazol-2-ylcarbamoyl)-propyl]-amide | MPEX PHARMACEUTICALS, INC. (US) | 2011-02-22 | — | — | US | disclosed |
| US-7879795-B2 | can be coadministered with antimicrobial agents for treatment of infections caused by drug resistant bacteria; 2-Amino-N-{4-Amino-1-[-3-phenyl-1-(R)-(quinolin-3-ylcarbomoyl)-propylcarbamoyl]-butyl}succinamic acid; 2,5-Diamino-pentanoic acid [3-phenyl-1-(R)-(4-phenyl-thiazol-2-ylcarbamoyl)-propyl]-amide | MPEX PHARMACEUTICALS, INC. (US) | 2011-02-01 | — | — | US | disclosed |