Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.67 |
| ▸ | MAPT | P10636 | 2/20 | 0.67 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.67 |
| ▸ | NPC1 | O15118 | 1/20 | 0.67 |
| ▸ | LMNA | P02545 | 1/20 | 0.67 |
| ▸ | HPGD | P15428 | 1/20 | 0.67 |
| ▸ | RAB9A | P51151 | 1/20 | 0.67 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.67 |
| ▸ | TDP2 | O95551 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.43 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.42 |
| ▸ | MMP12 | P39900 | 1/20 | 0.41 |
| ▸ | MMP13 | P45452 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 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 | |
|---|---|---|---|---|
| Benzidine SCHEMBL28084252 | 0.90 | ALDH1A1 (0.67) | ALDH1A1MAPTKDM4ENPC1LMNA | |
| SCHEMBL23581451 | 0.88 | ALDH1A1 (0.57) | ALDH1A1MAPTKDM4ENPC1LMNA | |
| Biphenyl-4-Amine SCHEMBL28200593 | 0.86 | HSD17B10 (0.62) | ALDH1A1MAPTKDM4ENPC1LMNA | |
| SCHEMBL27614921 | 0.86 | NPC1 (0.52) | ALDH1A1MAPTKDM4ENPC1LMNA | |
| SCHEMBL30497775 | 0.84 | RAB9A (0.84) | ALDH1A1MAPTKDM4ENPC1LMNA | |
| SCHEMBL2362632 | 0.84 | RAB9A (0.84) | ALDH1A1MAPTKDM4ENPC1LMNA | |
| SCHEMBL28440412 | 0.84 | ALDH1A1 (0.59) | ALDH1A1MAPTKDM4ENPC1LMNA | |
| Fluorene SCHEMBL28257630 | 0.84 | MAPT (0.75) | ALDH1A1MAPTKDM4ENPC1LMNA | |
| Hydrochloric Acid SCHEMBL2861091 | 0.82 | RAB9A (0.81) | ALDH1A1MAPTKDM4ENPC1LMNA | |
| SCHEMBL19673668 | 0.82 | RAB9A (0.62) | ALDH1A1MAPTKDM4ENPC1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-3342774-B1 | HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME | LG CHEMICAL LTD (KR) | 2021-06-23 | — | — | EP | disclosed |
| EP-3114102-B1 | MATERIALS FOR ELECTRONIC DEVICES | MERCK PATENT GMBH (DE) | 2017-12-06 | — | — | EP | disclosed |