Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | SCN1A | P35498 | 1/20 | 0.37 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.37 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.35 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.35 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | MMP2 | P08253 | 2/20 | 0.33 |
| ▸ | MMP9 | P14780 | 2/20 | 0.33 |
| ▸ | ANPEP | P15144 | 2/20 | 0.33 |
| ▸ | LTA4H | P09960 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20122367 | 0.90 | SMN1; SMN2 (0.38) | LMNASMN1; SMN2RAB9ACYP1A2CYP2D6 | |
| SCHEMBL20122516 | 0.87 | ADRB2 (0.41) | LMNACYP2D6SCN1ASCN2ASCN3A | |
| SCHEMBL20122555 | 0.86 | ADRB2 (0.40) | LMNACYP2D6SCN1ASCN2ASCN3A | |
| SCHEMBL20122398 | 0.85 | EPHX1 (0.30) | — | |
| SCHEMBL20122445 | 0.85 | ADRB2 (0.41) | LMNACYP2D6SCN1ASCN2ASCN3A | |
| SCHEMBL20122556 | 0.84 | ADRB2 (0.39) | LMNASMN1; SMN2RAB9ACYP2D6NPC1 | |
| SCHEMBL20122388 | 0.84 | ADRB2 (0.39) | CYP2D6SCN1ASCN2ASCN3AADRB2 | |
| SCHEMBL20122506 | 0.84 | CYP19A1 (0.30) | — | |
| SCHEMBL20122580 | 0.84 | NPC1 (0.31) | SMN1; SMN2RAB9ANPC1HTT | |
| SCHEMBL20122380 | 0.84 | EPHX1 (0.32) | CACNA1B |
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-9963428-B1 | Bucillamine prodrugs, pharmaceutical compositions thereof, and methods of use | Nguyen, Mark Quang (US) | 2018-05-08 | — | — | US | disclosed |