Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.33 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | APEX1 | P27695 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | STAT1 | P42224 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL278798 | 0.84 | ALDH1A1 (0.61) | CA1CA2ALDH1A1GABRA1GABRB2 | |
| SCHEMBL3807248 | 0.84 | ALDH1A1 (0.53) | CA1CA2ALDH1A1GABRA1GABRB2 | |
| SCHEMBL14387492 | 0.78 | ALDH1A1 (0.59) | CA1CA2ALDH1A1CYP1A1CYP1B1 | |
| SCHEMBL17827239 | 0.78 | GABRA1 (0.52) | ALDH1A1GABRA1GABRB2MAPTLMNA | |
| SCHEMBL470715 | 0.78 | ALDH1A1 (0.69) | CA1CA2ALDH1A1CYP1A1CYP1B1 | |
| SCHEMBL12187809 | 0.78 | GABRA1 (0.46) | ALDH1A1GABRA1GABRB2MAPTLMNA | |
| SCHEMBL29585476 | 0.77 | CYP1A1 (0.46) | CA1CA2ALDH1A1GABRA1GABRB2 | |
| SCHEMBL5546107 | 0.77 | CYP1A1 (0.46) | CA1CA2ALDH1A1GABRA1GABRB2 | |
| Water SCHEMBL27933293 | 0.76 | ALDH1A1 (0.65) | CA1CA2ALDH1A1CYP1A1CYP1B1 | |
| SCHEMBL309760 | 0.76 | GABRA1 (0.65) | CA1CA2ALDH1A1GABRA1GABRB2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3502117-B1 | ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND | SAMSUNG ELECTRONICS CO LTD (KR) | 2020-09-16 | — | — | EP | disclosed |
| EP-3502117-A1 | ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND | Samsung Electronics Co., Ltd. (KR) | 2019-06-26 | — | — | EP | disclosed |
| US-9353150-B2 | Substituted pyrazino[1′,2′:1 ,5]pyrrolo[2,3-b]-indole-1,4-diones for cancer treatment | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2016-05-31 | — | — | US | disclosed |