Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | ESR1 | P03372 | 2/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.38 |
| ▸ | TACR2 | P21452 | 2/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | SHBG | P04278 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28861193 | 1.00 | ALDH1A1 (0.46) | ALDH1A1ALOX15PKMSMN1; SMN2RAB9A | |
| SCHEMBL60610 | 1.00 | ALDH1A1 (0.46) | ALDH1A1ALOX15PKMSMN1; SMN2RAB9A | |
| SCHEMBL61669 | 1.00 | ALDH1A1 (0.46) | ALDH1A1ALOX15PKMSMN1; SMN2RAB9A | |
| SCHEMBL7459531 | 1.00 | ALDH1A1 (0.46) | ALDH1A1ALOX15PKMSMN1; SMN2RAB9A | |
| SCHEMBL6839659 | 1.00 | ALDH1A1 (0.46) | ALDH1A1ALOX15PKMSMN1; SMN2RAB9A | |
| SCHEMBL11069335 | 0.98 | ALDH1A1 (0.45) | ALDH1A1ALOX15PKMSMN1; SMN2RAB9A | |
| SCHEMBL11069331 | 0.98 | ALDH1A1 (0.45) | ALDH1A1ALOX15PKMSMN1; SMN2RAB9A | |
| SCHEMBL28336524 | 0.98 | ALDH1A1 (0.45) | ALDH1A1ALOX15PKMSMN1; SMN2RAB9A | |
| SCHEMBL17768658 | 0.98 | ALDH1A1 (0.45) | ALDH1A1ALOX15PKMSMN1; SMN2RAB9A | |
| SCHEMBL29212867 | 0.98 | ALDH1A1 (0.45) | ALDH1A1ALOX15PKMSMN1; SMN2RAB9A |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3768692-A1 | METAL COMPLEXES | Merck Patent GmbH (DE) | 2021-01-27 | — | — | EP | disclosed |
| EP-3752512-A1 | METAL COMPLEXES | Merck Patent GmbH (DE) | 2020-12-23 | — | — | EP | disclosed |
| EP-3728263-A1 | HETEROCYCLIC COMPOUND FOR USE IN ELECTRONIC DEVICES | Merck Patent GmbH (DE) | 2020-10-28 | — | — | EP | disclosed |
| WO-2019179909-A1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2019-09-26 | — | — | WO | disclosed |
| EP-0421441-B1 | Pantothenic acid derivatives | FUJIREBIO KK (JP) | 1995-01-25 | — | — | EP | disclosed |
| US-5120738-A | Cardiovascular disorders | FUJIREBIO INC. (JP) | 1992-06-09 | — | — | US | disclosed |
| EP-0421441-A2 | Pantothenic acid derivatives | FUJIREBIO INC. (JP) | 1991-04-10 | — | — | EP | disclosed |