Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 1/20 | 0.43 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.42 |
| ▸ | GRIN1 | Q05586 | 8/20 | 0.42 |
| ▸ | GRIN2B | Q13224 | 8/20 | 0.42 |
| ▸ | KMO | O15229 | 1/20 | 0.41 |
| ▸ | RXRA | P19793 | 1/20 | 0.40 |
| ▸ | RXRB | P28702 | 1/20 | 0.40 |
| ▸ | RXRG | P48443 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3350638 | 0.92 | PIN1 (0.45) | PIN1GRIN1GRIN2BKMOSCD | |
| SCHEMBL3473446 | 0.89 | TGFBR1 (0.44) | TGFBR1GRIN1GRIN2BKDM4ESCD | |
| SCHEMBL3476567 | 0.89 | GRIN1 (0.41) | PIN1TGFBR1GRIN1GRIN2BKDM4E | |
| SCHEMBL3474113 | 0.87 | EGLN1 (0.41) | PIN1GRIN1GRIN2BKMORXRA | |
| SCHEMBL3474093 | 0.85 | AKR1C3 (0.43) | GRIN1GRIN2BKMORXRARXRB | |
| SCHEMBL3473761 | 0.84 | S1PR1 (0.41) | PIN1KMORXRARXRBRXRG | |
| SCHEMBL3473451 | 0.83 | KMO (0.43) | PIN1GRIN1GRIN2BKMOSCD | |
| SCHEMBL3474070 | 0.82 | TGFBR1 (0.49) | TGFBR1GRIN1GRIN2BKDM4EALDH1A1 | |
| SCHEMBL3433129 | 0.81 | SCD (0.47) | TGFBR1GRIN1GRIN2BSCD | |
| SCHEMBL3350646 | 0.81 | ALDH1A1 (0.42) | PIN1KDM4EALDH1A1LMNA |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8912190-B2 | Substituted heterocyclic compounds | GILEAD SCIENCES, INC. (US) | 2014-12-16 | — | — | US | claimed |
| US-20130197001-A1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2013-08-01 | — | — | US | claimed |
| US-20100113461-A1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS | GILEAD PALO ALTO, INC. (US) | 2010-05-06 | — | — | US | claimed |
| US-8912190-B2 | Substituted heterocyclic compounds | GILEAD SCIENCES, INC. (US) | 2014-12-16 | — | — | US | disclosed |
| US-20130197001-A1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2013-08-01 | — | — | US | disclosed |
| US-20100113461-A1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS | GILEAD PALO ALTO, INC. (US) | 2010-05-06 | — | — | 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 (2 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-20100113461-A1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS | KCNH1, KCNJ2, KCNH2 | PIN1 4039/4885TGFBR1 1618/4885GRIN1 1435/4885 |
| US-20130197001-A1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS | KCNH1, KCNJ2, KCNH2 | PIN1 4039/4885TGFBR1 1618/4885GRIN1 1435/4885 |
“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.