Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | GLA | P06280 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | CASP1 | P29466 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | DAGLB | Q8NCG7 | 1/20 | 0.33 |
| ▸ | DAGLA | Q9Y4D2 | 1/20 | 0.33 |
| ▸ | ACACB | O00763 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL25856883 | 0.92 | S1PR1 (0.37) | S1PR1CYP3A4CYP2C19CYP1A2HPGD | |
| SCHEMBL23558442 | 0.84 | S1PR1 (0.42) | S1PR1CYP3A4CYP2C19CYP1A2HPGD | |
| SCHEMBL23558568 | 0.79 | HSD17B1 (0.46) | CYP2C19CYP1A2HPGDCYP2C9NPC1 | |
| SCHEMBL23558481 | 0.78 | RAB9A (0.42) | CYP3A4CYP2C19CYP1A2HPGDCYP2C9 | |
| SCHEMBL23558589 | 0.78 | NPC1 (0.33) | CYP2C19CYP1A2HPGDCYP2C9NPC1 | |
| SCHEMBL30355606 | 0.76 | S1PR1 (0.44) | S1PR1HPGDNPC1TP53RAB9A | |
| SCHEMBL23523749 | 0.76 | S1PR1 (0.44) | S1PR1HPGDNPC1TP53RAB9A | |
| SCHEMBL23558433 | 0.76 | HSD17B1 (0.51) | HPGDNPC1TP53RAB9AALDH1A1 | |
| SCHEMBL23558330 | 0.75 | RAB9A (0.40) | CYP3A4CYP2C19CYP1A2HPGDCYP2C9 | |
| SCHEMBL23558404 | 0.74 | ABCB1 (0.51) | S1PR1HPGDNPC1RAB9AKDM4E |
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-20210188826-A1 | COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME | TREVENA, INC. | 2021-06-24 | — | — | 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-20210188826-A1 | COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME | S1PR1, S1PR2, S1PR3 | S1PR1 1/4885CYP3A4 4104/4885CYP2C19 4354/4885 |
“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.