Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.48 |
| ▸ | NPC1 | O15118 | 5/20 | 0.48 |
| ▸ | RAB9A | P51151 | 5/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 4/20 | 0.48 |
| ▸ | NFKB2 | Q00653 | 4/20 | 0.48 |
| ▸ | RELA | Q04206 | 4/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | CNR2 | P34972 | 2/20 | 0.40 |
| ▸ | RARA | P10276 | 7/20 | 0.40 |
| ▸ | RARB | P10826 | 7/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2495280 | 0.90 | NPC1 (0.44) | SMN1; SMN2NPC1RAB9ANFKB1NFKB2 | |
| SCHEMBL3342764 | 0.89 | NPC1 (0.48) | SMN1; SMN2NPC1RAB9ANFKB1NFKB2 | |
| SCHEMBL3341615 | 0.89 | NPC1 (0.51) | SMN1; SMN2NPC1RAB9ANFKB1NFKB2 | |
| SCHEMBL3342970 | 0.88 | NPC1 (0.47) | SMN1; SMN2NPC1RAB9ANFKB1NFKB2 | |
| SCHEMBL3339549 | 0.86 | SMN1; SMN2 (0.46) | SMN1; SMN2NPC1RAB9ANFKB1NFKB2 | |
| SCHEMBL2494462 | 0.86 | NPC1 (0.42) | SMN1; SMN2NPC1RAB9ANFKB1NFKB2 | |
| SCHEMBL3340394 | 0.85 | SMN1; SMN2 (0.55) | SMN1; SMN2NPC1RAB9ANFKB1NFKB2 | |
| SCHEMBL3340947 | 0.85 | SMN1; SMN2 (0.62) | SMN1; SMN2NPC1RAB9ANFKB1NFKB2 | |
| SCHEMBL3343605 | 0.84 | NPC1 (0.46) | SMN1; SMN2NPC1RAB9ANFKB1NFKB2 | |
| SCHEMBL13330766 | 0.84 | RARA (0.40) | SMN1; SMN2NPC1RAB9ANFKB1NFKB2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100160369-A1 | S1P1 Agonists and Methods of Making And Using | EXELIXIS, INC. (US) | 2010-06-24 | — | — | US | disclosed |
| US-20100160369-A1 | S1P1 Agonists and Methods of Making And Using | EXELIXIS, INC. (US) | 2010-06-24 | — | — | US | disclosed |
| US-20100160369-A1 | S1P1 Agonists and Methods of Making And Using | EXELIXIS, INC. (US) | 2010-06-24 | — | — | US | disclosed |
| WO-2010065760-A1 | IMIDAZO [1,2A] PYRIDINE DERIVATIVES, THEIR USE AS S1P1 AGONISTS AND METHODS FOR THEIR PRODUCTION | EXELIXIS, INC. (US) | 2010-06-10 | — | — | 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 (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-20100160369-A1 | S1P1 Agonists and Methods of Making And Using | S1PR1, S1PR5, S1PR3 | SMN1; SMN2 2046/4885NPC1 241/4885RAB9A 2844/4885 |
“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.