Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3913913 | 0.85 | CYP1A2 (0.52) | CYP1A2NPC1RAB9AALDH1A1MAPT | |
| SCHEMBL13791042 | 0.84 | CYP1A2 (0.48) | CYP1A2CA2SMN1; SMN2NPC1RAB9A | |
| SCHEMBL274133 | 0.81 | SMN1; SMN2 (0.46) | CYP1A2SMN1; SMN2NPC1RAB9AALDH1A1 | |
| SCHEMBL10048488 | 0.81 | CYP1A2 (0.72) | CYP1A2SMN1; SMN2ALDH1A1HPGDMAPT | |
| SCHEMBL3256326 | 0.81 | NPC1 (0.62) | SMN1; SMN2NPC1RAB9AALDH1A1MAPT | |
| Hydrochloric Acid SCHEMBL274132 | 0.80 | SMN1; SMN2 (0.45) | CYP1A2SMN1; SMN2NPC1RAB9AALDH1A1 | |
| SCHEMBL3910561 | 0.80 | CYP1A2 (0.60) | CYP1A2NPC1RAB9AALDH1A1CYP3A4 | |
| SCHEMBL30050703 | 0.80 | CYP1A2 (0.60) | CYP1A2NPC1RAB9AALDH1A1CYP3A4 | |
| SCHEMBL1068218 | 0.79 | CYP4F2 (0.55) | SMN1; SMN2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL3909181 | 0.78 | CYP1A2 (0.59) | CYP1A2NPC1RAB9AALDH1A1KMT2A |
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-7553867-B2 | Furan or thiophene derivative and medicinal use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-06-30 | — | — | US | disclosed |
| US-7553867-B2 | Furan or thiophene derivative and medicinal use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-06-30 | — | — | US | disclosed |