Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 1.00 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.89 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.89 |
| ▸ | HDAC1 | Q13547 | 6/20 | 0.78 |
| ▸ | HDAC2 | Q92769 | 5/20 | 0.78 |
| ▸ | HDAC3 | O15379 | 5/20 | 0.78 |
| ▸ | HDAC4 | P56524 | 4/20 | 0.78 |
| ▸ | HDAC7 | Q8WUI4 | 4/20 | 0.78 |
| ▸ | HDAC10 | Q969S8 | 4/20 | 0.78 |
| ▸ | HDAC11 | Q96DB2 | 4/20 | 0.78 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.78 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.78 |
| ▸ | HDAC9 | Q9UKV0 | 4/20 | 0.78 |
| ▸ | HDAC5 | Q9UQL6 | 4/20 | 0.78 |
| ▸ | DRD2 | P14416 | 1/20 | 0.73 |
| ▸ | DRD3 | P35462 | 1/20 | 0.73 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.73 |
| ▸ | HTR2C | P28335 | 1/20 | 0.64 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.63 |
| ▸ | GAA | P10253 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL6483696 | 1.00 | AKR1C3 (1.00) | AKR1C3KDM4EALDH1A1HDAC1HDAC2 | |
| SCHEMBL6481636 | 0.99 | AKR1C3 (0.97) | AKR1C3KDM4EALDH1A1HDAC1HDAC2 | |
| SCHEMBL5092794 | 0.94 | KDM4E (1.00) | AKR1C3KDM4EALDH1A1HDAC1HDAC2 | |
| SCHEMBL27550290 | 0.93 | AKR1C3 (0.86) | AKR1C3KDM4EALDH1A1HDAC1HDAC2 | |
| SCHEMBL29904432 | 0.88 | KDM4E (0.83) | AKR1C3KDM4EALDH1A1HDAC1HDAC2 | |
| SCHEMBL6473590 | 0.88 | AKR1C3 (0.78) | AKR1C3KDM4EALDH1A1HDAC1HDAC2 | |
| SCHEMBL19837643 | 0.88 | DRD2 (0.90) | AKR1C3KDM4EALDH1A1HDAC1HDAC2 | |
| SCHEMBL19837655 | 0.88 | DRD2 (0.90) | AKR1C3KDM4EALDH1A1HDAC1HDAC2 | |
| SCHEMBL6481222 | 0.88 | AKR1C3 (0.78) | AKR1C3KDM4EALDH1A1HDAC1HDAC2 | |
| SCHEMBL7370548 | 0.86 | HDAC1 (0.77) | AKR1C3KDM4EALDH1A1HDAC1HDAC2 |
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-6939869-B2 | Pyrrolo[2,1-c][1,4] benzodiazepine-indole derivatives, their preparation process, and uses of the same | KAOHSIUNG MEDICAL UNIVERSITY (TW) | 2005-09-06 | — | — | US | disclosed |
| US-20040054168-A1 | Novel pyrrolo[2,1-c][1,4] benzodiazepine-indole derivatives, their preparation process, and uses of the same | KAOHSIUNG MEDICAL UNIVERSITY | 2004-03-18 | — | — | 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-20040054168-A1 | Novel pyrrolo[2,1-c][1,4] benzodiazepine-indole derivatives, their preparation process, and uses of the same | CYP4B1, CYP1B1, GABRA1 | AKR1C3 1368/4885KDM4E 938/4885ALDH1A1 383/4885 |
“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.