Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.51 |
| ▸ | CA1 | P00915 | 3/20 | 0.51 |
| ▸ | CA2 | P00918 | 3/20 | 0.51 |
| ▸ | CA7 | P43166 | 3/20 | 0.51 |
| ▸ | CA9 | Q16790 | 3/20 | 0.51 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.51 |
| ▸ | ESR1 | P03372 | 1/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.47 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.47 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL13812160 | 0.88 | CA12 (0.51) | CA12CA1CA2CA7CA9 | |
| SCHEMBL10411224 | 0.85 | CA12 (0.51) | CA12CA1CA2CA7CA9 | |
| SCHEMBL28289517 | 0.84 | CA12 (0.54) | CA12CA1CA2CA7CA9 | |
| SCHEMBL13193177 | 0.84 | CA12 (0.54) | CA12CA1CA2CA7CA9 | |
| SCHEMBL6990343 | 0.83 | CA12 (0.53) | CA12CA1CA2CA7CA9 | |
| SCHEMBL5089121 | 0.83 | S1PR3 (0.52) | CA12CA1CA2CA7CA9 | |
| SCHEMBL29546615 | 0.83 | S1PR3 (0.52) | CA12CA1CA2CA7CA9 | |
| SCHEMBL4168058 | 0.82 | ESRRA (0.49) | ALDH1A1HSD17B2CYP1A2LMNACYP3A4 | |
| SCHEMBL2421850 | 0.82 | CA12 (0.51) | CA12CA1CA2CA7CA9 | |
| SCHEMBL4180274 | 0.82 | LMNA (0.54) | CA12CA1CA2CA7CA9 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10000488-B2 | Heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2018-06-19 | — | — | US | disclosed |
| US-20170253591-A1 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2017-09-07 | — | — | US | disclosed |
| EP-3192791-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2017-07-19 | — | — | EP | disclosed |
| CN-101910168-B | Tropane compounds | EXELIXIS INC | 2014-07-30 | — | — | CN | disclosed |
| EP-2370438-A1 | IMIDAZO [1,2A]PYRIDINE DERIVATIVES, THEIR USE AS S1P1 AGONISTS AND METHODS FOR THEIR PRODUCTION | Exelixis, Inc. (US) | 2011-10-05 | — | — | EP | 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 |
| 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 (3 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-20170253591-A1 | HETEROCYCLIC COMPOUND | RORC, RORB, RORA | CA12 1152/4885CA1 989/4885CA2 1129/4885 |
| US-10000488-B2 | Heterocyclic compound | RORC, RORB, RORA | CA12 1152/4885CA1 989/4885CA2 1129/4885 |
| US-20100160369-A1 | S1P1 Agonists and Methods of Making And Using | S1PR1, S1PR5, S1PR3 | CA12 4724/4885CA1 3941/4885CA2 3515/4885 |
“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.