Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LOXL2 | Q9Y4K0 | 3/20 | 0.74 |
| ▸ | TP53 | P04637 | 1/20 | 0.74 |
| ▸ | TAAR1 | Q96RJ0 | 5/20 | 0.54 |
| ▸ | KIF11 | P52732 | 4/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Ethylbenzene SCHEMBL9229968 | 0.97 | LOXL2 (0.70) | LOXL2TP53TAAR1KIF11MAOB | |
| Ethylbenzene SCHEMBL8625152 | 0.97 | LOXL2 (0.70) | LOXL2TP53TAAR1KIF11MAOB | |
| Ethylbenzene SCHEMBL11575513 | 0.91 | LOXL2 (0.61) | LOXL2TP53TAAR1KIF11CYP1A2 | |
| Benzylamine SCHEMBL6991195 | 0.89 | LOXL2 (0.82) | LOXL2TP53TAAR1MAOBCYP1A2 | |
| Ethylbenzene SCHEMBL8140169 | 0.89 | TP53 (0.82) | LOXL2TP53TAAR1KIF11SLC6A2 | |
| Benzylamine SCHEMBL28934699 | 0.89 | LOXL2 (0.82) | LOXL2TP53TAAR1MAOBCYP1A2 | |
| Benzylamine SCHEMBL27904613 | 0.86 | LOXL2 (0.78) | LOXL2TP53TAAR1MAOBCYP1A2 | |
| Ethylbenzene SCHEMBL3739571 | 0.86 | TP53 (0.78) | LOXL2TP53TAAR1KIF11MAOB | |
| Benzylamine SCHEMBL9494893 | 0.86 | LOXL2 (0.78) | LOXL2TP53TAAR1MAOBCYP1A2 | |
| Ethylbenzene SCHEMBL9618498 | 0.86 | TP53 (0.88) | LOXL2TP53TAAR1KIF11CYP1A2 |
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
Appears in 2496 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117430547-A | Preparation method of single enantiomer of tetrahydrocyclopenta [ b ] indol-3-yl acetic acid and derivative thereof | 安徽艾立德制药有限公司 | 2024-01-23 | — | — | CN | claimed |
| CN-116514896-A | Synthesis method of dihydrotanshinone I | 浙江大学 | 2023-08-01 | — | — | CN | claimed |
| CN-116410098-A | Preparation method for synthesizing alpha-aminoketone compound from fatty aldehyde and secondary amine | 西北工业大学 | 2023-07-11 | — | — | CN | claimed |
| US-9938282-B2 | Expedient synthesis of sitagliptin | STEREOKEM, INC. (US) | 2018-04-10 | — | — | US | claimed |
| US-20170183351-A1 | EXPEDIENT SYNTHESIS OF SITAGLIPTIN | STEREOKEM, INC. | 2017-06-29 | — | — | US | claimed |
| CN-103819475-B | Synthetic method of sitagliptin and salt thereof | 浙江新和成股份有限公司 | 2017-04-19 | — | — | CN | claimed |
| CN-106536523-A | Expedient synthesis of sitagliptin | 斯特里奥肯公司 | 2017-03-22 | — | — | CN | claimed |
| CN-104628892-B | Preparation method and use of 6-benzyl phenylethylamine derivative beta-cyclodextrin bonded SBA-15 | 南昌大学 | 2017-02-22 | — | — | CN | claimed |
| US-20130150323-A1 | USE OF ORAL HEPARIN PREPARATIONS TO TREAT URINARY TRACT DISEASES AND CONDITIONS | Urigen Pharmaceuticals, Inc (US) | 2013-06-13 | — | — | US | claimed |
| EP-0654026-B1 | ISOSERINE DERIVATIVES AND THEIR USE AS LEUKOTRIENE ANTAGONISTS | LEO PHARM PROD LTD (DK) | 1997-02-19 | — | — | EP | claimed |
| US-4465631-A | ANTIBIOTICS | AJINOMOTO COMPANY, INCORPORATED (JP) | 1984-08-14 | — | — | US | claimed |
| US-4372962-A | OXAPENICILLIN ANTIBIOTICS, BACTERICIDES, BETA-LACTAMASE INHIBITORS | BEECHAM GROUP LIMITED (GB) | 1983-02-08 | — | — | US | claimed |
| EP-0064199-A1 | Novel secalonic acid derivatives and method for preparing thereof | Asahi Kasei Kogyo Kabushiki Kaisha (JP) | 1982-11-10 | — | — | EP | claimed |
| US-4086417-A | ANTILEUKEMIA | ASAHI KASEI KOGYO KABUSHIKI KAISHA (JA) | 1978-04-25 | — | — | US | claimed |
| US-4029656-A | ANTIBACTERIAL | TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) | 1977-06-14 | — | — | US | claimed |
| US-3993770-A | Penicillins | BAYER AKTIENGESELLSCHAFT (DT) | 1976-11-23 | — | — | US | claimed |
| US-3993642-A | Penicillins | BAYER AKTIENGESELLSCHAFT (DT) | 1976-11-23 | — | — | US | claimed |
| US-3988327-A | 7-(α-SULFOACYLAMIDO)CEPHALOSPORANIC ACIDS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) | 1976-10-26 | — | — | US | claimed |
| US-3974288-A | ANTIBACTERIAL ACTIVITY | BAYER AKTIENGESELLSCHAFT (DT) | 1976-08-10 | — | — | US | claimed |
| US-3944544-A | BACTERICIDE | E. R. SQUIBB & SONS, INC. (US) | 1976-03-16 | — | — | US | claimed |