Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.32 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | HDAC4 | P56524 | 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 | |
|---|---|---|---|---|
| SCHEMBL19417181 | 0.84 | HTR2C (0.34) | TAAR1HTR2CALDH1A1HTR2AHTR2B | |
| SCHEMBL18477663 | 0.75 | HTR2C (0.38) | TAAR1HTR2CALDH1A1HTR2AHTR2B | |
| SCHEMBL23938615 | 0.68 | ALDH1A1 (0.38) | ALDH1A1CYP3A4TDP1ALOX15HSD17B10 | |
| SCHEMBL11928893 | 0.67 | — | — | |
| SCHEMBL24521823 | 0.67 | KDM4E (0.31) | ALDH1A1MAPTKDM4E | |
| SCHEMBL23839214 | 0.67 | TAAR1 (0.38) | TAAR1HTR2CALDH1A1HTR2AHTR2B | |
| SCHEMBL15083730 | 0.65 | — | — | |
| SCHEMBL21531033 | 0.65 | NOS3 (0.31) | — | |
| SCHEMBL22416845 | 0.64 | CYP2C9 (0.31) | — | |
| SCHEMBL22086312 | 0.64 | CYP3A4 (0.35) | ALDH1A1CYP3A4TDP1TSHRUSP2 |
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-4016656-A1 | ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND | Samsung Electronics Co., Ltd. (KR) | 2022-06-22 | — | — | EP | disclosed |