Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NUDT1 | P36639 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | AURKA | O14965 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | MPO | P05164 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | GOT1 | P17174 | 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 | |
|---|---|---|---|---|
| SCHEMBL18031996 | 0.80 | IGF1R (0.34) | KDM4EALDH1A1MAPTGAALMNA | |
| SCHEMBL14230821 | 0.80 | NUDT1 (0.58) | NUDT1KDM4EALDH1A1MAPTGAA | |
| SCHEMBL12586215 | 0.79 | NUDT1 (0.35) | NUDT1LMNANOS3NOS1NOS2 | |
| SCHEMBL24533739 | 0.78 | NUDT1 (0.36) | NUDT1KDM4EALDH1A1MAPTGAA | |
| SCHEMBL27829647 | 0.78 | SYK (0.36) | ALDH1A1LMNAAURKASTK17ASYK | |
| SCHEMBL4570565 | 0.76 | NUDT1 (0.33) | NUDT1AURKA | |
| SCHEMBL17863608 | 0.75 | ALDH1A1 (0.36) | NUDT1KDM4EALDH1A1MAPTLMNA | |
| SCHEMBL15537585 | 0.75 | LMNA (0.41) | KDM4EALDH1A1LMNANOS3NOS1 | |
| SCHEMBL8398333 | 0.72 | GABRP (0.43) | KDM4EALDH1A1MAPTGAALMNA | |
| SCHEMBL12279163 | 0.71 | RAPGEF4 (0.45) | MAPTLMNAAURKARAB9ANPC1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8034954-B2 | Calcium channel antagonists | ICAGEN, INC. (US) | 2011-10-11 | — | — | US | claimed |
| CN-110831600-B | Indole AHR inhibitors and uses thereof | 医肯纳肿瘤学公司 | 2023-10-17 | — | — | CN | disclosed |
| EP-3753941-A1 | PYRIMIDINE-FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | Shanghai Blueray Biopharma Co., Ltd. (CN) | 2020-12-23 | — | — | EP | disclosed |
| CN-110831600-A | Indole AHR inhibitors and uses thereof | 金恩医疗公司 | 2020-02-21 | — | — | CN | disclosed |
| WO-2019158019-A1 | PYRIMIDINE-FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 上海青煜医药科技有限公司 | 2019-08-22 | — | — | WO | disclosed |
| EP-2629616-A2 | SUBSTITUTED AMINO-TRIAZOLYL PDE10 INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2013-08-28 | — | — | EP | disclosed |
| WO-2012054366-A2 | SUBSTITUTED AMINO-TRIAZOLYL PDE10 INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2012-04-26 | — | — | WO | disclosed |