Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD1 | P21728 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.49 |
| ▸ | ABL1 | P00519 | 1/20 | 0.47 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.47 |
| ▸ | BCR | P11274 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.44 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | PGR | P06401 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | TTR | P02766 | 1/20 | 0.41 |
| ▸ | ERN1 | O75460 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2632213 | 0.93 | DRD1 (0.55) | DRD1ALDH1A1CYP2A6LMNAFFAR1 | |
| SCHEMBL3804053 | 0.92 | ALDH1A1 (0.58) | DRD1ALDH1A1CYP2A6ABL1ABCB1 | |
| SCHEMBL10028278 | 0.85 | ALDH1A1 (0.68) | ALDH1A1CYP2A6LMNATSHRPGR | |
| SCHEMBL17199711 | 0.85 | ALDH1A1 (0.68) | DRD1ALDH1A1CYP2A6LMNATSHR | |
| SCHEMBL2623457 | 0.84 | DRD1 (0.45) | DRD1ALDH1A1LMNAFFAR1FFAR4 | |
| SCHEMBL19275027 | 0.82 | ALDH1A1 (0.59) | DRD1ALDH1A1CYP2A6LMNAHPGD | |
| SCHEMBL14452808 | 0.82 | ALDH1A1 (0.59) | DRD1ALDH1A1CYP2A6LMNAHPGD | |
| SCHEMBL2581063 | 0.82 | DRD1 (0.64) | DRD1ALDH1A1CYP2A6ABL1ABCB1 | |
| SCHEMBL13385299 | 0.81 | ALDH1A1 (0.58) | ALDH1A1CYP2A6NPC1RAB9ATDP1 | |
| SCHEMBL23918546 | 0.81 | ALDH1A1 (0.61) | ALDH1A1CYP2A6ABL1ABCB1BCR |
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-20150079714-A1 | COMPOSITION FOR USE IN ORGANIC DEVICE, POLYMER FILM, AND ORGANIC ELECTROLUMINESCENT ELEMENT | MITSUBISHI CHEMICAL CORPORATION (JP) | 2015-03-19 | — | — | US | disclosed |
| US-20120091443-A1 | COMPOSITION FOR USE IN ORGANIC DEVICE, POLYMER FILM, AND ORGANIC ELECTROLUMINESCENT ELEMENT | MITSUBISHI CHEMICAL CORPORATION (JP) | 2012-04-19 | — | — | US | disclosed |