Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.46 |
| ▸ | KDM1A | O60341 | 3/20 | 0.44 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | MTOR | P42345 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL10856627 | 0.89 | KDM1A (0.42) | SIGMAR1KDM1ATSHRHTR2AMAPK1 | |
| SCHEMBL11881410 | 0.78 | ESR2 (0.41) | KDM1ADRD2 | |
| SCHEMBL31629514 | 0.75 | KDM1A (0.50) | SIGMAR1KDM1AAKR1B1MEN1KMT2A | |
| SCHEMBL4195493 | 0.75 | KDM1A (0.50) | SIGMAR1KDM1AAKR1B1MEN1KMT2A | |
| SCHEMBL16388051 | 0.74 | KDM1A (0.45) | SIGMAR1KDM1ATSHRCYP3A4CYP2C19 | |
| SCHEMBL16924628 | 0.73 | KDM1A (0.53) | SIGMAR1KDM1ACYP3A4DRD2CYP2C19 | |
| SCHEMBL8659379 | 0.73 | KDM1A (0.53) | SIGMAR1KDM1ACYP3A4DRD2CYP2C19 | |
| SCHEMBL5533856 | 0.73 | MAPK1 (0.42) | SIGMAR1KDM1ACYP2D6HTR2AMAPK1 | |
| SCHEMBL11105463 | 0.72 | KDM1A (0.42) | SIGMAR1KDM1AAKR1B1MEN1KMT2A | |
| SCHEMBL6689565 | 0.72 | KDM1A (0.56) | SIGMAR1KDM1AAKR1B1MEN1KMT2A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4590274-A | Antihypertensive 1-[bis-(substituted phenyl)methyl]-4[2-(1,2,3,4-tetrahydro-substituted naphthalen-1-ylidene)ethyl]piperazines | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1986-05-20 | — | — | US | disclosed |
| EP-0069424-B1 | PROCESS FOR THE SELECTIVE REDUCTION OF A 14, 17-DIOXO-8,4-SECO-STEROID | AKZO N.V. (NL) | 1985-05-29 | — | — | EP | disclosed |
| EP-0069424-A1 | Process for the selective reduction of a 14, 17-dioxo-8,4-seco-steroid | AKZO N.V. (NL) | 1983-01-12 | — | — | EP | disclosed |
| US-4130565-A | 3-ALKYL-TETRAHYDROPYRAN-OR THIOPYRAN-2,4-DIONES AS CHEMICAL INTERMEDIATES | SHIONOGI & CO., LTD. (JP) | 1978-12-19 | — | — | US | disclosed |
| US-4130565-A | 3-ALKYL-TETRAHYDROPYRAN-OR THIOPYRAN-2,4-DIONES AS CHEMICAL INTERMEDIATES | SHIONOGI & CO., LTD. (JP) | 1978-12-19 | — | — | US | disclosed |
| US-4083852-A | ORAL CONTRACEPTIVES | SHIONOGI & CO., LTD. (JA) | 1978-04-11 | — | — | US | disclosed |