Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 7/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | XBP1 | P17861 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.35 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL12744265 | 1.00 | SIGMAR1 (0.43) | SIGMAR1CYP2A6ALDH1A1CYP1A2CRHR1 | |
| SCHEMBL14111969 | 1.00 | SIGMAR1 (0.43) | SIGMAR1CYP2A6ALDH1A1CYP1A2CRHR1 | |
| SCHEMBL29438473 | 1.00 | SIGMAR1 (0.43) | SIGMAR1CYP2A6ALDH1A1CYP1A2CRHR1 | |
| SCHEMBL18069061 | 1.00 | SIGMAR1 (0.43) | SIGMAR1CYP2A6ALDH1A1CYP1A2CRHR1 | |
| SCHEMBL2326889 | 1.00 | SIGMAR1 (0.43) | SIGMAR1CYP2A6ALDH1A1CYP1A2CRHR1 | |
| SCHEMBL15024679 | 0.98 | SIGMAR1 (0.42) | SIGMAR1CYP2A6ALDH1A1CYP1A2CRHR1 | |
| SCHEMBL19763126 | 0.98 | SIGMAR1 (0.42) | SIGMAR1CYP2A6ALDH1A1CYP1A2CRHR1 | |
| SCHEMBL25113130 | 0.97 | SIGMAR1 (0.41) | SIGMAR1CYP2A6ALDH1A1CYP1A2RAB9A | |
| SCHEMBL2607224 | 0.97 | SIGMAR1 (0.44) | SIGMAR1CYP2A6ALDH1A1CYP1A2CRHR1 | |
| SCHEMBL16386586 | 0.97 | SIGMAR1 (0.44) | SIGMAR1CYP2A6ALDH1A1CYP1A2CRHR1 |
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-7910687-B2 | Conjugated polymers containing arylamine units, the representation thereof and the use of the same | MERCK PATENT GMBH (DE) | 2011-03-22 | — | — | US | disclosed |
| US-7910687-B2 | Conjugated polymers containing arylamine units, the representation thereof and the use of the same | MERCK PATENT GMBH (DE) | 2011-03-22 | — | — | US | disclosed |