Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.49 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.49 |
| ▸ | GLS | O94925 | 2/20 | 0.48 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.45 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | FAAH | O00519 | 1/20 | 0.43 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.43 |
| ▸ | AGXT | P21549 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6674653 | 0.79 | CYP2A6 (0.58) | RAB9ACYP2A6ADRB2GLSASIC3 | |
| SCHEMBL5538543 | 0.76 | CYP2A6 (0.63) | RAB9ACYP2A6ADRB2GLSASIC3 | |
| SCHEMBL2396236 | 0.76 | CYP2A6 (0.48) | RAB9ACYP2A6ADRB2ASIC3LOXL2 | |
| SCHEMBL3048243 | 0.76 | CYP2A6 (0.54) | RAB9ACYP2A6ADRB2GLSASIC3 | |
| SCHEMBL1177008 | 0.76 | CYP2A6 (0.58) | RAB9ACYP2A6ADRB2GLSASIC3 | |
| SCHEMBL8329057 | 0.76 | RAB9A (0.74) | RAB9AHDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL631264 | 0.75 | CYP2A6 (0.61) | CYP2A6ADRB2GLSASIC3LOXL2 | |
| SCHEMBL29534459 | 0.75 | CYP2A6 (0.61) | CYP2A6ADRB2GLSASIC3LOXL2 | |
| SCHEMBL4231274 | 0.74 | CYP2A6 (0.51) | RAB9ACYP2A6ADRB2GLSASIC3 | |
| SCHEMBL18362009 | 0.74 | CYP2A6 (0.59) | RAB9ACYP2A6ADRB2GLSASIC3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8293899-B2 | Ketone transfer hydrogenation of stereoisomerically enriched 3-heteroaryl-3-oxocarboxylic esters by reducing 3-heteroaryl-3-hydroxycarboxylic esters in the presence of a ruthenium-containing catalyst, an amine and formic acid and/or formates | LANXESS DEUTSCHLAND GMBH (DE) | 2012-10-23 | — | — | US | disclosed |
| US-20030225274-A1 | Process for reducing 3-heteroaryl-3-oxopropionic acid derivatives | LANXESS DEUTSCHLAND GMBH (DE) | 2003-12-04 | — | — | 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-20030225274-A1 | Process for reducing 3-heteroaryl-3-oxopropionic acid derivatives | GRHPR, HPD, HAAO | RAB9A 3428/4885CYP2A6 37/4885ADRB2 845/4885 |
“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.