Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | NCF1 | P14598 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | POLB | P06746 | 2/20 | 0.31 |
| ▸ | METAP1 | P53582 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CCR1 | P32246 | 1/20 | 0.31 |
| ▸ | CCR5 | P51681 | 1/20 | 0.31 |
| ▸ | CCR8 | P51685 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | DOHH | Q9BU89 | 1/20 | 0.31 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | MTOR | P42345 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL25524327 | 0.69 | ALDH1A1 (0.45) | ALDH1A1KDM4EMAPTNCF1CYP3A4 | |
| SCHEMBL240893 | 0.68 | ALDH1A1 (0.38) | ALDH1A1KDM4EMAPTNCF1CYP3A4 | |
| SCHEMBL9317055 | 0.68 | ALDH1A1 (0.38) | ALDH1A1NCF1RAB9AHDAC8 | |
| SCHEMBL4015315 | 0.68 | ALDH1A1 (0.67) | ALDH1A1KDM4EMAPTNCF1CYP3A4 | |
| SCHEMBL28809132 | 0.67 | ALDH1A1 (0.41) | ALDH1A1KDM4EMAPTCYP3A4LMNA | |
| SCHEMBL13403464 | 0.67 | HDAC8 (0.43) | ALDH1A1KDM4EMAPTPOLBNPC1 | |
| Bromide SCHEMBL7758538 | 0.67 | ALDH1A1 (0.37) | ALDH1A1KDM4ENCF1LMNALOXL2 | |
| SCHEMBL29364156 | 0.67 | ALDH1A1 (0.41) | ALDH1A1KDM4EMAPTCYP3A4LMNA | |
| Iodide SCHEMBL9646548 | 0.67 | ALDH1A1 (0.37) | ALDH1A1KDM4EMAPTNCF1CYP3A4 | |
| SCHEMBL247478 | 0.67 | ALDH1A1 (0.41) | ALDH1A1KDM4EMAPTCYP3A4LMNA |
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-3223821-A1 | SUBSTITUTED PYRIDOBENZODIAZEPINONE-DERIVATIVES AND USE THEREOF | Bayer Pharma Aktiengesellschaft (DE) | 2017-10-04 | — | — | EP | disclosed |
| WO-2016083276-A1 | SUBSTITUTED PYRIDOBENZODIAZEPINONE-DERIVATIVES AND USE THEREOF | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2016-06-02 | — | — | WO | disclosed |
| US-20050100968-A1 | Self-encoded combinatorial synthesis of compound multiplets | XENOPORT, INC. (US) | 2005-05-12 | — | — | US | disclosed |
| EP-1259823-A2 | SELF-ENCODED COMBINATORIAL SYNTHESIS OF COMPOUND MULTIPLETS | Xenoport, Inc. (US) | 2002-11-27 | — | — | EP | disclosed |
| US-20010031475-A1 | Self-encoded combinatorial synthesis of compound multiplets | XENOPORT, INC. | 2001-10-18 | — | — | US | disclosed |
| WO-2001062772-A2 | SELF-ENCODED COMBINATORIAL SYNTHESIS OF COMPOUND MULTIPLETS | XENOPORT, INC. (US) | 2001-08-30 | — | — | WO | disclosed |
| EP-0024582-A1 | Benzodiazepinones, process for their preparation and pharmaceutical compositions containing them | Byk Gulden Lomberg Chemische Fabrik GmbH (DE) | 1981-03-11 | — | — | EP | disclosed |