Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK5 | Q00535 | 4/20 | 0.50 |
| ▸ | CDK5R1 | Q15078 | 4/20 | 0.50 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.50 |
| ▸ | CDK2 | P24941 | 2/20 | 0.50 |
| ▸ | CCNA1 | P78396 | 2/20 | 0.50 |
| ▸ | SREBF2 | Q12772 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | AR | P10275 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 4/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | CASP3 | P42574 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10953155 | 0.85 | HPGD (0.54) | CDK5CDK5R1KDM4EARKMT2A | |
| SCHEMBL9975612 | 0.79 | CDK5 (0.54) | CDK5CDK5R1CCNA2CDK2CCNA1 | |
| SCHEMBL11507528 | 0.78 | CDK5 (0.62) | CDK5CDK5R1CCNA2CDK2CCNA1 | |
| SCHEMBL28318883 | 0.77 | CDK5 (0.50) | CDK5CDK5R1CCNA2CDK2CCNA1 | |
| SCHEMBL21116004 | 0.77 | ALDH1A1 (0.54) | CDK5CDK5R1CCNA2CDK2CCNA1 | |
| SCHEMBL759746 | 0.74 | KDM4E (0.58) | CDK5CDK5R1CCNA2CDK2CCNA1 | |
| SCHEMBL7332982 | 0.74 | CDK5 (0.58) | CDK5CDK5R1CCNA2CDK2CCNA1 | |
| SCHEMBL13852580 | 0.74 | CYP2A6 (0.44) | RAB9ANPC1CYP19A1 | |
| SCHEMBL6627239 | 0.74 | CDK5 (0.66) | CDK5CDK5R1CCNA2CDK2CCNA1 | |
| SCHEMBL87128 | 0.74 | CYP3A4 (0.65) | SREBF2KDM4EARKMT2ARAB9A |
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 |
|---|---|---|---|---|---|---|---|
| CN-113968799-B | Malononitrile compound and application thereof | 沈阳化工大学 | 2023-07-04 | — | — | CN | disclosed |
| CN-113968799-A | Malononitrile compound and application thereof | 沈阳化工大学 | 2022-01-25 | — | — | CN | disclosed |
| CN-105452240-A | Heterocyclic derivates | KALVISTA PHARMACEUTICALS LTD | 2016-03-30 | — | — | CN | disclosed |
| CN-105143201-A | Benzylamine derivatives | KALVISTA PHARMACEUTICALS LTD | 2015-12-09 | — | — | CN | disclosed |
| CN-101119981-A | Novel benzothiazole sulfonamides | ASTRAZENECA AB (SE) | 2008-02-06 | — | — | CN | disclosed |
| EP-1465613-A2 | COMBINATION OF MTP INHIBITORS OR APOB SECRETION INHIBITORS WITH FIBRATES FOR USE AS DRUGS | Boehringer Ingelheim Pharma GmbH & Co. KG (DE) | 2004-10-13 | — | — | EP | disclosed |
| US-20030162788-A1 | Combination of MTP inhibitors or apoB-secretion inhibitors with fibrates for use as pharmaceuticals | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2003-08-28 | — | — | US | disclosed |
| WO-2003057205-A2 | COMBINATION OF MTP INHIBITORS OR APOB SECRETION INHIBITORS WITH FIBRATES FOR USE AS DRUGS | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2003-07-17 | — | — | WO | disclosed |
| WO-2003004020-A1 | HETEROARYL CARBOXYLIC ACID AMIDES, THE PRODUCTION THEREOF AND THE USE OF THE SAME AS INHIBITORS OF THE MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN (MTP) | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2003-01-16 | — | — | 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 (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-20030162788-A1 | Combination of MTP inhibitors or apoB-secretion inhibitors with fibrates for use as pharmaceuticals | APOB, LIPC, MTPN | CDK5 3801/4885CDK5R1 4143/4885CCNA2 4648/4885 |
“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.