Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 2/20 | 0.55 |
| ▸ | DRD4 | P21917 | 2/20 | 0.55 |
| ▸ | KDM1A | O60341 | 1/20 | 0.55 |
| ▸ | BCHE | P06276 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | ABL1 | P00519 | 1/20 | 0.41 |
| ▸ | ALPL | P05186 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 2/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.40 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL19427420 | 1.00 | DRD2 (0.55) | DRD2DRD4KDM1ABCHEKDM4E | |
| Water SCHEMBL9452384 | 0.98 | DRD2 (0.54) | DRD2DRD4KDM1ABCHEKDM4E | |
| Formic Acid SCHEMBL2065440 | 0.93 | DRD2 (0.49) | DRD2DRD4KDM1ABCHEKDM4E | |
| SCHEMBL23115288 | 0.85 | SLC22A1 (0.55) | KDM1AADRB2HTR2AHTR2CSLC22A1 | |
| SCHEMBL23135179 | 0.85 | SLC22A1 (0.55) | KDM1AADRB2HTR2AHTR2CSLC22A1 | |
| SCHEMBL23115291 | 0.85 | SLC22A1 (0.55) | KDM1AADRB2HTR2AHTR2CSLC22A1 | |
| SCHEMBL19427382 | 0.84 | PRCP (0.40) | DRD2DRD4KDM1ABCHEKDM4E | |
| SCHEMBL16591499 | 0.84 | PRCP (0.40) | DRD2DRD4KDM1ABCHEKDM4E | |
| SCHEMBL19427432 | 0.84 | TBXA2R (0.52) | DRD2DRD4KDM1ABCHETBXA2R | |
| SCHEMBL6437154 | 0.80 | BCHE (0.43) | DRD2BCHEKDM4EMAPTPKM |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8148527-B1 | Resolution of 1-(4-methoxybenzyl)-octahydro-isoquinoline | Divi's Laboratories, Ltd. (IN) | 2012-04-03 | — | — | US | claimed |
| EP-0341562-A1 | Process for preparing(+)-and(-)-beta-[(2-amino-1-naphthalenyl)thio]-alpha-hydroxy-4-methoxy-benzenepropanoic acid | F. HOFFMANN-LA ROCHE AG (CH) | 1989-11-15 | — | — | EP | claimed |
| US-4864058-A | Process for making optically active naphtho[1,2-b][1,4]thiazepin-4(5H)-ones | HOFFMANN-LA ROCHE INC. (US) | 1989-09-05 | — | — | US | claimed |
| JP-2015056-A | — | — | None | — | — | JP | disclosed |
| EP-3436425-B1 | AN IMPROVED PROCESS FOR THE PREPARATION OF BUTORPHANOL TARTRATE | HIKAL LTD (IN) | 2021-01-06 | — | — | EP | disclosed |
| WO-2017168444-A1 | AN IMPROVED PROCESS FOR THE PREPARATION OF BUTORPHANOL TARTRATE | HIKAL LIMITED (IN) | 2017-10-05 | — | — | WO | disclosed |
| US-5225557-A | Process for making optically active naphtho[1,2-b]thiazepin-4(5H)-ones | HOFFMANN-LA ROCHE INC. (US) | 1993-07-06 | — | — | US | disclosed |
| US-4996352-A | Hypotensive, antiischemic agent | HOFFMANN-LA ROCHE INC. (US) | 1991-02-26 | — | — | US | disclosed |
| JP-H0215056-A | PRODUCTION OF TWO KINDS OF ENANTIOMERS OF BETA-((2-AMINO-1 NAPHTHALENYL)THIO)-ALPHA-HYDROXY-4-METHOXY-BENZENEPROPANOIC ACID | F HOFFMANN LA ROCHE AG | 1990-01-18 | — | — | JP | disclosed |
| EP-0341562-A1 | Process for preparing(+)-and(-)-beta-[(2-amino-1-naphthalenyl)thio]-alpha-hydroxy-4-methoxy-benzenepropanoic acid | F. HOFFMANN-LA ROCHE AG (CH) | 1989-11-15 | — | — | EP | disclosed |
| EP-0341562-A1 | Process for preparing(+)-and(-)-beta-[(2-amino-1-naphthalenyl)thio]-alpha-hydroxy-4-methoxy-benzenepropanoic acid | F. HOFFMANN-LA ROCHE AG (CH) | 1989-11-15 | — | — | EP | disclosed |
| US-4864058-A | Process for making optically active naphtho[1,2-b][1,4]thiazepin-4(5H)-ones | HOFFMANN-LA ROCHE INC. (US) | 1989-09-05 | — | — | US | disclosed |
| US-4269873-A | PENICILLIN DERIVATIVES | MERCK & CO., INC. (US) | 1981-05-26 | — | — | US | disclosed |
| US-4270000-A | ANALGESICS; FROM AN N-/2-/1-CYCLOHEXEN-1-YL/ ETHYL/-4-PHENOXYPHENYLACETAMIDE | HOFFMANN-LA ROCHE INC. (US) | 1981-05-26 | — | — | US | disclosed |
| US-4270000-A | ANALGESICS; FROM AN N-/2-/1-CYCLOHEXEN-1-YL/ ETHYL/-4-PHENOXYPHENYLACETAMIDE | HOFFMANN-LA ROCHE INC. (US) | 1981-05-26 | — | — | US | disclosed |
| US-4247697-A | ANALGESICS | HOFFMANN-LA ROCHE INC. (US) | 1981-01-27 | — | — | US | disclosed |
| US-4247697-A | ANALGESICS | HOFFMANN-LA ROCHE INC. (US) | 1981-01-27 | — | — | US | disclosed |
| US-4194044-A | 1-(P-PHENOXYBENZYL)-(1,2,)3,4,5,6,7,8 -(HEXA)OCTAHYDROISOQUINOLINES | HOFFMANN-LA ROCHE INC. (US) | 1980-03-18 | — | — | US | disclosed |
| US-4194044-A | 1-(P-PHENOXYBENZYL)-(1,2,)3,4,5,6,7,8 -(HEXA)OCTAHYDROISOQUINOLINES | HOFFMANN-LA ROCHE INC. (US) | 1980-03-18 | — | — | US | disclosed |