Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.69 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.69 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.69 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | MTOR | P42345 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | VCP | P55072 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.38 |
| ▸ | DYRK2 | Q92630 | 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 | |
|---|---|---|---|---|
| 2-Naphthaldehyde SCHEMBL10896795 | 0.84 | ALDH1A1 (0.74) | ALDH1A1TDP1HSD17B10CYP3A4ATM | |
| Piperonal SCHEMBL1864802 | 0.82 | ALDH1A1 (1.00) | ALDH1A1TDP1HSD17B10CYP3A4ATM | |
| Piperonal SCHEMBL29318 | 0.82 | ALDH1A1 (1.00) | ALDH1A1TDP1HSD17B10CYP3A4ATM | |
| Piperonal SCHEMBL29411164 | 0.82 | ALDH1A1 (1.00) | ALDH1A1TDP1HSD17B10CYP3A4ATM | |
| Piperonal SCHEMBL5958791 | 0.80 | ALDH1A1 (0.96) | ALDH1A1TDP1HSD17B10CYP3A4ATM | |
| Piperonal SCHEMBL28017062 | 0.80 | ALDH1A1 (0.96) | ALDH1A1TDP1HSD17B10CYP3A4ATM | |
| SCHEMBL23606517 | 0.79 | ALDH1A1 (0.61) | ALDH1A1TDP1HSD17B10CYP2A6CYP3A4 | |
| SCHEMBL29617405 | 0.79 | CYP2A6 (0.50) | ALDH1A1TDP1HSD17B10CYP2A6RAB9A | |
| SCHEMBL9883838 | 0.79 | CYP2A6 (0.50) | ALDH1A1TDP1HSD17B10CYP2A6RAB9A | |
| SCHEMBL30972495 | 0.79 | CYP2A6 (0.50) | ALDH1A1TDP1HSD17B10CYP2A6RAB9A |
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 100 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109890846-A | anti-CD 27 antibodies | 默沙东公司 | 2019-06-14 | — | — | CN | disclosed |
| CN-105307656-B | Quinoline inhibitors of macrophage stimulating 1 receptor MST1R | 利德发现中心有限责任公司 | 2019-02-19 | — | — | CN | disclosed |
| CN-105050598-B | Novel compounds as ERK inhibitors | 默沙东公司 | 2018-04-27 | — | — | CN | disclosed |
| CN-102958930-B | [1,8] naphthyridine compounds as the 2,4- diaryl substitution for the kinase inhibitor to anticancer | 默克专利有限公司 | 2018-04-27 | — | — | CN | disclosed |
| CN-104245675-B | Cyclic amides as MetAP-2 inhibitors | 默克专利股份公司 | 2017-10-13 | — | — | CN | disclosed |
| CN-103930416-B | BENZONITRILE DERIVATIVES AS KINASE INHIBITORS | 默克专利股份公司 | 2017-03-29 | — | — | CN | disclosed |
| CN-105073746-B | Substituted imidazopyridines as HDM2 inhibitors | 默沙东公司 | 2017-03-22 | — | — | CN | disclosed |
| CN-103946223-B | 3-cyanaryl-1h-pyrazolo[2.3-b]pyridine derivatives | 默克专利股份公司 | 2017-01-18 | — | — | CN | disclosed |
| CN-103596938-B | Thiazole | 默克专利有限公司 | 2016-12-28 | — | — | CN | disclosed |
| CN-104093722-B | Furo [3,2-b]-and thieno [3,2-b] pyridine derivate as TBK1 and IKK inhibitor | 默克专利股份公司 | 2016-07-27 | — | — | CN | disclosed |
| CN-101253168-A | Substituted benzimidazoles as kinase inhibitors | NOVARTIS AG (CH) | 2008-08-27 | — | — | CN | disclosed |
| CN-101203495-A | Benzocycloheptapyridine compounds as inhibitors of receptor tyrosine kinase MET | MERCK & CO INC (US) | 2008-06-18 | — | — | CN | disclosed |
| CN-1980662-A | Mitotic kinesin inhibitors | MERCK & CO INC (US) | 2007-06-13 | — | — | CN | disclosed |
| CN-1839128-A | Mitotic kinesin inhibitors | MERCK & CO INC (US) | 2006-09-27 | — | — | CN | disclosed |
| CN-1835749-A | Mitotic kinesin inhibitors | MERCK & CO INC (US) | 2006-09-20 | — | — | CN | disclosed |
| CN-1829507-A | Tyrosine kinase inhibitors | MERCK & CO INC (US) | 2006-09-06 | — | — | CN | disclosed |
| CN-1809354-A | Inhibitors of Akt activity | MERCK & CO INC (US) | 2006-07-26 | — | — | CN | disclosed |
| CN-1809351-A | Inhibitors of Akt activity | MERCK & CO INC (US) | 2006-07-26 | — | — | CN | disclosed |
| CN-1809536-A | Inhibitors of Akt activity | MERCK & CO INC (US) | 2006-07-26 | — | — | CN | disclosed |
| US-6649643-B1 | Antitumor, anticarcinogenic, and antimetastasis agents; benign prostatic hyperplasia, alopecia, endometriosis, uterine myoma, hirsutism, virilism, precocious puberty, mastopathy, and polycystic overay syndrome treatment | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2003-11-18 | — | — | US | disclosed |