Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | CA2 | P00918 | 3/20 | 0.36 |
| ▸ | EGFR | P00533 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | FYN | P06241 | 2/20 | 0.36 |
| ▸ | MMP9 | P14780 | 2/20 | 0.36 |
| ▸ | RECQL | P46063 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | MMP2 | P08253 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.36 |
| ▸ | MMP8 | P22894 | 1/20 | 0.36 |
| ▸ | CA6 | P23280 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
| ▸ | MMP12 | P39900 | 1/20 | 0.36 |
| ▸ | ADAMTS5 | Q9UNA0 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL31357070 | 0.73 | CREBBP (0.40) | PARP1ALDH1A1CA2CA1MEN1 | |
| SCHEMBL9013032 | 0.73 | PARP1 (0.36) | PARP1ALDH1A1HPGDALOX15HSD17B10 | |
| SCHEMBL29130495 | 0.73 | ADRA2A (0.40) | ALDH1A1CA2CA1MAPTKDM4E | |
| SCHEMBL28506808 | 0.73 | HTR5A (0.35) | ALDH1A1CA2CA1MAPTKDM4E | |
| SCHEMBL19657537 | 0.73 | CREBBP (0.40) | PARP1ALDH1A1CA2CA1MEN1 | |
| SCHEMBL30537817 | 0.71 | PARP1 (0.56) | PARP1DRD2DRD4BCL2L1BAD | |
| SCHEMBL93672 | 0.71 | PARP1 (0.56) | PARP1DRD2DRD4BCL2L1BAD | |
| SCHEMBL108394 | 0.71 | PARP1 (0.43) | PARP1ALDH1A1HPGDALOX15HSD17B10 | |
| SCHEMBL14785279 | 0.71 | ALOX5 (0.47) | ALDH1A1HPGDALOX15HSD17B10CA2 | |
| SCHEMBL11824577 | 0.70 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3394068-A1 | TDO2 INHIBITORS | Genentech, Inc. (US) | 2018-10-31 | — | — | EP | claimed |
| WO-2017107979-A1 | TDO2 INHIBITORS | GENENTECH, INC. (US) | 2017-06-29 | — | — | WO | claimed |
| EP-2997025-A1 | PERHYDROQUINOXALINE DERIVATIVES USEFUL AS ANALGESICS | Dr. August Wolff GmbH & Co. KG Arzneimittel (DE) | 2016-03-23 | — | — | EP | claimed |
| CN-105209459-A | Perhydroquinoxaline derivatives useful as analgesics | WOLFF AUGUST GMBH & CO KG ARZNEIMITTEL DR | 2015-12-30 | — | — | CN | claimed |
| WO-2014184355-A1 | PERHYDROQUINOXALINE DERIVATIVES USEFUL AS ANALGESICS | DR. AUGUST WOLFF GMBH & CO. KG ARZNEIMITTEL (DE) | 2014-11-20 | — | — | WO | claimed |
| EP-3394068-A1 | TDO2 INHIBITORS | Genentech, Inc. (US) | 2018-10-31 | — | — | EP | disclosed |
| WO-2017107979-A1 | TDO2 INHIBITORS | GENENTECH, INC. (US) | 2017-06-29 | — | — | WO | disclosed |
| EP-2997025-A1 | PERHYDROQUINOXALINE DERIVATIVES USEFUL AS ANALGESICS | Dr. August Wolff GmbH & Co. KG Arzneimittel (DE) | 2016-03-23 | — | — | EP | disclosed |
| CN-105209459-A | Perhydroquinoxaline derivatives useful as analgesics | WOLFF AUGUST GMBH & CO KG ARZNEIMITTEL DR | 2015-12-30 | — | — | CN | disclosed |
| WO-2014184355-A1 | PERHYDROQUINOXALINE DERIVATIVES USEFUL AS ANALGESICS | DR. AUGUST WOLFF GMBH & CO. KG ARZNEIMITTEL (DE) | 2014-11-20 | — | — | WO | disclosed |
| EP-0661280-A1 | Novel amino acid ester and reagent composition for detecting leucocytes or elastase in body liquid | KYOTO DAIICHI KAGAKU CO., LTD. (JP) | 1995-07-05 | — | — | EP | disclosed |