Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | HPRT1 | P00492 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | HTR1B | P28222 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | GPR65 | Q8IYL9 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL19682791 | 0.86 | HPRT1 (0.42) | NCEH1CYP2A6ALDH1A1TSHRHSD17B10 | |
| SCHEMBL8375012 | 0.84 | HPRT1 (0.41) | NCEH1CYP2A6ALDH1A1TSHRHSD17B10 | |
| SCHEMBL3674343 | 0.79 | ALDH1A1 (0.44) | CYP2A6ALDH1A1TSHRHSD17B10TDP1 | |
| Naphthalene SCHEMBL11043776 | 0.77 | NCEH1 (0.46) | NCEH1CYP2A6ALDH1A1TSHRHSD17B10 | |
| SCHEMBL2126761 | 0.77 | CYP1A2 (0.56) | NCEH1CYP2A6ALDH1A1TSHRHSD17B10 | |
| SCHEMBL79572 | 0.77 | NCEH1 (0.46) | NCEH1CYP2A6ALDH1A1TSHRHSD17B10 | |
| SCHEMBL23841451 | 0.75 | CYP2A6 (0.54) | NCEH1CYP2A6ALDH1A1TSHRHSD17B10 | |
| SCHEMBL9463414 | 0.75 | NCEH1 (0.45) | NCEH1CYP2A6ALDH1A1TSHRHSD17B10 | |
| SCHEMBL22246891 | 0.75 | NCEH1 (0.45) | NCEH1CYP2A6ALDH1A1TSHRHSD17B10 | |
| SCHEMBL9614446 | 0.75 | NCEH1 (0.45) | NCEH1CYP2A6ALDH1A1TSHRHSD17B10 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240025918-A1 | KRAS G12D Inhibitors | JACOBIO PHARMACEUTICALS CO., LTD. (CN) | 2024-01-25 | — | — | US | disclosed |
| US-20240025918-A1 | KRAS G12D Inhibitors | JACOBIO PHARMACEUTICALS CO., LTD. (CN) | 2024-01-25 | — | — | US | disclosed |
| US-20230203060-A1 | FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF | GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) | 2023-06-29 | — | — | US | disclosed |
| US-9388183-B2 | Heterocyclic compounds and uses thereof | INFINITY PHARMACEUTICALS, INC. (US) | 2016-07-12 | — | — | US | disclosed |
| US-9315505-B2 | Heterocyclic compounds and uses thereof | INTELLIKINE LLC (US) | 2016-04-19 | — | — | US | disclosed |
| US-20150031672-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | INFINITY PHARMACEUTICALS, INC. | 2015-01-29 | — | — | US | disclosed |
| US-8901133-B2 | Heterocyclic compounds and uses thereof | INFINITY PHARMACEUTICALS, INC. (US) | 2014-12-02 | — | — | US | disclosed |
| US-20140296207-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | INTELLIKINE, INC. | 2014-10-02 | — | — | US | disclosed |
| US-8785454-B2 | Heterocyclic compounds and uses thereof | INTELLIKINE LLC (US) | 2014-07-22 | — | — | US | disclosed |
| US-20120329776-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | INTELLIKINE, INC. | 2012-12-27 | — | — | US | disclosed |
| US-20120122838-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | INFINITY PHARMACEUTICALS, INC. | 2012-05-17 | — | — | 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 (6 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-20150031672-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | PIK3CA, PIK3CD, PIK3CB | NCEH1 1003/4885CYP2A6 2986/4885ALDH1A1 3154/4885 |
| US-20120122838-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | PIK3CA, PIK3CD, PIK3CB | NCEH1 1003/4885CYP2A6 2986/4885ALDH1A1 3154/4885 |
| US-20230203060-A1 | FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF | KRAS, NRAS, TP53 | NCEH1 2878/4885CYP2A6 760/4885ALDH1A1 3223/4885 |
| US-20140296207-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | PIK3CA, AKT3, PIK3CD | NCEH1 1370/4885CYP2A6 2913/4885ALDH1A1 3577/4885 |
| US-20120329776-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | PIK3CA, PIK3CD, PIK3CB | NCEH1 1060/4885CYP2A6 2669/4885ALDH1A1 3050/4885 |
| US-20240025918-A1 | KRAS G12D Inhibitors | KRAS, NRAS, HRAS | NCEH1 4310/4885CYP2A6 3433/4885ALDH1A1 3208/4885 |
“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.