Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GSTO1 | P78417 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | LTA4H | P09960 | 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 | |
|---|---|---|---|---|
| SCHEMBL4444258 | 0.81 | TSHR (0.54) | TSHRPARP1ALDH1A1SMN1; SMN2LTA4H | |
| SCHEMBL2619374 | 0.79 | LMNA (0.49) | TSHRPARP1ALDH1A1NPC1RAB9A | |
| SCHEMBL10686867 | 0.78 | ALDH1A1 (0.45) | ALDH1A1LTA4H | |
| SCHEMBL10686854 | 0.78 | ALDH1A1 (0.45) | ALDH1A1LTA4H | |
| SCHEMBL46155 | 0.76 | TSHR (0.72) | TSHRPARP1GSTO1 | |
| SCHEMBL27551455 | 0.76 | SLC6A3 (0.59) | SLC6A3KCNH2TAAR1 | |
| SCHEMBL2792782 | 0.75 | NPC1 (0.59) | TSHRALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL20437075 | 0.74 | HDAC8 (0.50) | ALDH1A1NPC1RAB9A | |
| SCHEMBL103928 | 0.74 | HDAC8 (0.50) | ALDH1A1NPC1RAB9A | |
| SCHEMBL20587670 | 0.74 | ALDH1A1 (0.59) | TSHRALDH1A1 |
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-8399451-B2 | Heterocyclic compounds | BRISTOL-MYERS SQUIBB COMPANY (US) | 2013-03-19 | — | — | US | disclosed |
| US-8399451-B2 | Heterocyclic compounds | BRISTOL-MYERS SQUIBB COMPANY (US) | 2013-03-19 | — | — | US | disclosed |
| US-20110190255-A1 | HETEROCYCLIC COMPOUNDS | BRISTOL-MYERS SQUIBB COMPANY | 2011-08-04 | — | — | US | disclosed |
| US-20110190255-A1 | HETEROCYCLIC COMPOUNDS | BRISTOL-MYERS SQUIBB COMPANY | 2011-08-04 | — | — | 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-20110190255-A1 | HETEROCYCLIC COMPOUNDS | S1PR1, S1PR3, S1PR5 | TSHR 345/4885PARP1 523/4885ALDH1A1 3119/4885 |
“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.