Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 9/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | F13A1 | P00488 | 4/20 | 0.48 |
| ▸ | TGM2 | P21980 | 4/20 | 0.48 |
| ▸ | TGM1 | P22735 | 4/20 | 0.48 |
| ▸ | MMP1 | P03956 | 1/20 | 0.48 |
| ▸ | MMP2 | P08253 | 1/20 | 0.48 |
| ▸ | MMP3 | P08254 | 1/20 | 0.48 |
| ▸ | MMP7 | P09237 | 1/20 | 0.48 |
| ▸ | MMP9 | P14780 | 1/20 | 0.48 |
| ▸ | MMP8 | P22894 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL17063265 | 1.00 | GRIN2B (0.57) | GRIN2BSMN1; SMN2NPC1RAB9ACYP2C19 | |
| SCHEMBL4828216 | 0.96 | GRIN2B (0.61) | GRIN2BSMN1; SMN2NPC1RAB9ACYP2C19 | |
| SCHEMBL7350346 | 0.92 | BCL9 (0.48) | GRIN2BSMN1; SMN2NPC1RAB9ACYP2C19 | |
| SCHEMBL29927194 | 0.90 | GRIN2B (0.55) | GRIN2BSMN1; SMN2NPC1RAB9ACYP2C19 | |
| SCHEMBL5452029 | 0.90 | GRIN2B (0.53) | GRIN2BSMN1; SMN2NPC1RAB9ACYP2C19 | |
| SCHEMBL29201731 | 0.86 | GRIN2B (0.53) | GRIN2BSMN1; SMN2NPC1RAB9ACYP2C19 | |
| SCHEMBL31488027 | 0.85 | LMNA (0.48) | GRIN2BSMN1; SMN2NPC1RAB9ACYP2C19 | |
| SCHEMBL19782422 | 0.85 | GRIN2B (0.53) | GRIN2BSMN1; SMN2NPC1RAB9ACYP2C19 | |
| SCHEMBL7280409 | 0.84 | GRIN2B (0.52) | GRIN2BSMN1; SMN2NPC1RAB9ACYP2C19 | |
| SCHEMBL10385453 | 0.84 | ALDH1A1 (0.58) | GRIN2BSMN1; SMN2KDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017184549-A1 | PYRROLOPYRIDINE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF | INNOV17 LLC (US) | 2017-10-26 | — | — | WO | disclosed |