Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR3 | P46089 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.32 |
| ▸ | TNF | P01375 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 2/20 | 0.31 |
| ▸ | RAB9A | P51151 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | ACHE | P22303 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL22373860 | 0.81 | ALDH1A1 (0.36) | GPR3CYP2A6NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL24055843 | 0.79 | MAPK1 (0.39) | GPR3NPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL20172154 | 0.79 | CYP3A4 (0.44) | GPR3CYP2A6NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL21237831 | 0.79 | SLC9A1 (0.35) | GPR3LMNACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL3101423 | 0.77 | GPR3 (0.54) | GPR3NPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL11884982 | 0.74 | CYP2A6 (0.42) | GPR3CYP2A6ACHE | |
| SCHEMBL1336582 | 0.74 | GPR3 (0.61) | GPR3CYP2A6NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL3078426 | 0.71 | GPR3 (0.37) | GPR3NPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL22373912 | 0.70 | MAOA (0.35) | CYP2A6ACHE | |
| SCHEMBL24055707 | 0.68 | TNF (0.35) | TNFNPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| EP-2980182-B1 | CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME | SAMSUNG ELECTRONICS CO LTD (KR) | 2018-05-23 | — | — | EP | disclosed |