Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.51 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.50 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.50 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.50 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.50 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.50 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.50 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 10/20 | 0.49 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.46 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6077013 | 0.81 | HDAC3 (0.56) | ALDH1A1KDM4EHDAC3HDAC4HDAC1 | |
| SCHEMBL6077148 | 0.76 | KMT2A (0.41) | ALDH1A1NPC1TDP1RAB9ALMNA | |
| SCHEMBL25470949 | 0.72 | ALDH1A1 (0.56) | ALDH1A1KDM4ESIGMAR1TSHRNPC1 | |
| SCHEMBL4547112 | 0.71 | HDAC3 (0.65) | ALDH1A1KDM4EHDAC3HDAC4HDAC1 | |
| SCHEMBL6100669 | 0.70 | HRH3 (0.42) | ALDH1A1KDM4EHDAC3HDAC4HDAC1 | |
| Hydrochloric Acid SCHEMBL1780701 | 0.70 | HDAC3 (0.64) | ALDH1A1KDM4EHDAC3HDAC4HDAC1 | |
| SCHEMBL6078128 | 0.70 | SIGMAR1 (0.58) | ALDH1A1KDM4ESIGMAR1TSHRHRH3 | |
| SCHEMBL9975271 | 0.70 | HRH3 (0.47) | ALDH1A1KDM4EHDAC3HDAC4HDAC1 | |
| SCHEMBL28944066 | 0.69 | HDAC3 (0.57) | ALDH1A1KDM4EHDAC3HDAC4HDAC1 | |
| SCHEMBL780480 | 0.69 | HSP90AA1 (0.65) | ALDH1A1KDM4ESIGMAR1HSP90AA1PAX8 |
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-7109186-B2 | 4-hydroxy-5-oxo-1-(2-[4-methylpiperazin-1-yl]ethyl)-2,5-dihydro-1H-pyrrole-3-carboxylic acid (3,4-dichlorobenzyl)-methyl-amide for human immunodeficiency virus (HIV) treatment | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-09-19 | — | — | US | disclosed |
| US-20040110804-A1 | HIV integrase inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2004-06-10 | — | — | 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-20040110804-A1 | HIV integrase inhibitors | CDKN1A, SAMHD1, CTCF | ALDH1A1 563/4885KDM4E 702/4885HDAC3 1632/4885 |
“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.