Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.49 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.49 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | CCR3 | P51677 | 1/20 | 0.48 |
| ▸ | DRD2 | P14416 | 1/20 | 0.48 |
| ▸ | DRD3 | P35462 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | DRD4 | P21917 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL21326761 | 0.86 | SIGMAR1 (0.49) | SIGMAR1ALDH1A1TSHRMEN1KMT2A | |
| SCHEMBL538679 | 0.85 | SIGMAR1 (0.82) | SIGMAR1ALDH1A1CYP2C9TSHRCYP2C19 | |
| SCHEMBL3769864 | 0.80 | SIGMAR1 (0.63) | SIGMAR1TSHRCYP2D6DRD2ACHE | |
| SCHEMBL7838809 | 0.78 | DRD2 (0.60) | SIGMAR1DRD2DRD3DRD4ACHE | |
| SCHEMBL25391340 | 0.77 | SIGMAR1 (0.54) | SIGMAR1ALDH1A1CYP2C9TSHRCYP2C19 | |
| SCHEMBL6794599 | 0.77 | ESR2 (0.49) | DRD2DRD3DRD4 | |
| SCHEMBL1587871 | 0.76 | SIGMAR1 (0.58) | SIGMAR1ALDH1A1CYP2C9TSHRCYP2C19 | |
| SCHEMBL29992977 | 0.76 | SIGMAR1 (0.60) | SIGMAR1ALDH1A1CYP2C9TSHRCYP2C19 | |
| SCHEMBL22770313 | 0.76 | SIGMAR1 (0.60) | SIGMAR1ALDH1A1CYP2C9TSHRCYP2C19 | |
| SCHEMBL15236204 | 0.75 | ALDH1A1 (0.77) | SIGMAR1ALDH1A1CYP2C9TSHRCYP2C19 |
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-20200055817-A1 | SPIRO-COMPOUNDS AS SIP MODULATORS | AbbVie Deutschland GmbH & Co. KG (DE) | 2020-02-20 | — | — | US | disclosed |
| US-20100317679-A1 | SUBSTITUTED ARYL-FUSED SPIROCYCLIC AMINES | LIGAND PHARMACEUTICALS, INC. (US) | 2010-12-16 | — | — | US | disclosed |
| US-20100317679-A1 | SUBSTITUTED ARYL-FUSED SPIROCYCLIC AMINES | LIGAND PHARMACEUTICALS, INC. (US) | 2010-12-16 | — | — | US | disclosed |
| US-20100317679-A1 | SUBSTITUTED ARYL-FUSED SPIROCYCLIC AMINES | LIGAND PHARMACEUTICALS, INC. (US) | 2010-12-16 | — | — | US | disclosed |
| WO-2009039431-A2 | SUBSTITUTED ARYL-FUSED SPIROCYCLIC AMINES | NEUROGEN CORPORATION (US) | 2009-03-26 | — | — | WO | disclosed |
| WO-2009039431-A2 | SUBSTITUTED ARYL-FUSED SPIROCYCLIC AMINES | NEUROGEN CORPORATION (US) | 2009-03-26 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100317679-A1 | SUBSTITUTED ARYL-FUSED SPIROCYCLIC AMINES | HRH3, HRH4, HRH2 | SIGMAR1 178/4885ALDH1A1 229/4885CYP2C9 979/4885 |
| US-20200055817-A1 | SPIRO-COMPOUNDS AS SIP MODULATORS | S1PR1, STIM1, GIPR | SIGMAR1 138/4885ALDH1A1 1124/4885CYP2C9 3813/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.