Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 4/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | HTR1E | P28566 | 2/20 | 0.47 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | IDO1 | P14902 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | GCG | P01275 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | NAMPT | P43490 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL24118259 | 0.92 | POLB (0.44) | CYP1A2CYP3A4CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL24118244 | 0.90 | ALDH1A1 (0.51) | SMN1; SMN2MEN1KMT2AMAPTPOLB | |
| SCHEMBL24118064 | 0.89 | IDO1 (0.46) | SMN1; SMN2RAB9AMEN1KMT2APOLB | |
| SCHEMBL24118073 | 0.88 | ALDH1A1 (0.46) | CYP1A2CYP2C9CYP2C19SMN1; SMN2RAB9A | |
| SCHEMBL24118311 | 0.88 | ALDH1A1 (0.46) | CYP1A2CYP2C9CYP2C19SMN1; SMN2RAB9A | |
| SCHEMBL24117949 | 0.87 | IDO1 (0.53) | MEN1KMT2APOLBALDH1A1IDO1 | |
| SCHEMBL24118086 | 0.86 | IDO1 (0.42) | MEN1KMT2AS1PR3POLBALDH1A1 | |
| SCHEMBL24118272 | 0.84 | MEN1 (0.44) | CYP1A2CYP2C9CYP2C19SMN1; SMN2MEN1 | |
| SCHEMBL24118062 | 0.83 | IDO1 (0.54) | SMN1; SMN2MEN1KMT2APOLBALDH1A1 | |
| SCHEMBL24118616 | 0.83 | NAMPT (0.41) | SMN1; SMN2MEN1KMT2AMAPTS1PR3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210393600-A1 | Novel [1.1.1] Bicyclo Compounds as Indoleamine 2,3-Dioxygenase Inhibitors | MERCK SHARP & DOHME CORP. (US) | 2021-12-23 | — | — | US | 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 (1 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-20210393600-A1 | Novel [1.1.1] Bicyclo Compounds as Indoleamine 2,3-Dioxygenase Inhibitors | IDO1, IDO2, TPH1 | CYP1A2 164/4885CYP3A4 1135/4885CYP2C9 909/4885 |
“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.