Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F13A1 | P00488 | 3/20 | 0.49 |
| ▸ | TGM2 | P21980 | 3/20 | 0.49 |
| ▸ | TGM1 | P22735 | 3/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | MMP1 | P03956 | 1/20 | 0.42 |
| ▸ | MMP3 | P08254 | 1/20 | 0.42 |
| ▸ | MMP7 | P09237 | 1/20 | 0.42 |
| ▸ | MMP9 | P14780 | 1/20 | 0.42 |
| ▸ | MMP13 | P45452 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL17633253 | 1.00 | F13A1 (0.49) | F13A1TGM2TGM1SMN1; SMN2NPC1 | |
| SCHEMBL20983428 | 1.00 | F13A1 (0.49) | F13A1TGM2TGM1SMN1; SMN2NPC1 | |
| SCHEMBL17633251 | 1.00 | F13A1 (0.49) | F13A1TGM2TGM1SMN1; SMN2NPC1 | |
| SCHEMBL9873300 | 1.00 | F13A1 (0.49) | F13A1TGM2TGM1SMN1; SMN2NPC1 | |
| SCHEMBL17633250 | 1.00 | F13A1 (0.49) | F13A1TGM2TGM1SMN1; SMN2NPC1 | |
| SCHEMBL18592896 | 0.91 | SMN1; SMN2 (0.53) | F13A1TGM2TGM1SMN1; SMN2NPC1 | |
| SCHEMBL13567846 | 0.85 | SMN1; SMN2 (0.52) | F13A1TGM2TGM1SMN1; SMN2NPC1 | |
| SCHEMBL3628114 | 0.84 | SMN1; SMN2 (0.60) | F13A1TGM2TGM1SMN1; SMN2NPC1 | |
| SCHEMBL12836007 | 0.84 | SMN1; SMN2 (0.60) | F13A1TGM2TGM1SMN1; SMN2NPC1 | |
| SCHEMBL31459972 | 0.84 | F13A1 (0.48) | F13A1TGM2TGM1SMN1; SMN2NPC1 |
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-3683207-B1 | N-ALKYLARYL-5-OXYARYL-OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE ALLOSTERIC MODULATORS OF NR2B | CADENT THERAPEUTICS INC (US) | 2021-12-29 | — | — | EP | disclosed |