Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA12 | O43570 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.36 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.36 |
| ▸ | CTSL | P07711 | 2/20 | 0.36 |
| ▸ | CTSB | P07858 | 1/20 | 0.36 |
| ▸ | CTSS | P25774 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | LNPEP | Q9UIQ6 | 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 | |
|---|---|---|---|---|
| SCHEMBL5368717 | 0.78 | KMT2A (0.40) | MEN1KMT2ANPC1RAB9AHPGD | |
| SCHEMBL5378282 | 0.76 | CTSL (0.42) | CA1CA2CTSLCTSBCTSS | |
| SCHEMBL5368815 | 0.73 | CA2 (0.41) | CA1CA2ITGB3ITGA2BCTSL | |
| SCHEMBL5368051 | 0.73 | NPC1 (0.45) | CA2NPC1RAB9ACYP2D6SMN1; SMN2 | |
| SCHEMBL5371067 | 0.72 | NPC1 (0.42) | CA1CA2CTSLNPC1RAB9A | |
| SCHEMBL14679163 | 0.66 | RAB9A (0.62) | MEN1KMT2ANPC1RAB9AHPGD | |
| SCHEMBL2853485 | 0.66 | NPC1 (0.51) | MEN1KMT2ANPC1RAB9AHPGD | |
| P-Cresol SCHEMBL10749341 | 0.64 | ACHE (0.48) | MEN1KMT2ARAB9AHPGDCYP2D6 | |
| SCHEMBL5363812 | 0.64 | KMT2A (0.46) | CTSLCTSBCTSSMEN1KMT2A | |
| SCHEMBL17888454 | 0.63 | SMYD3 (0.58) | MEN1KMT2ACYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| US-7259157-B2 | N-substituted nonaryl-heterocyclo amidyl NMDA/NR2B Antagonists | MERCK & CO., INC. (US) | 2007-08-21 | — | — | US | disclosed |