Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | HPGD | P15428 | 2/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.55 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.52 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.52 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.52 |
| ▸ | BRD4 | O60885 | 2/20 | 0.52 |
| ▸ | TDO2 | P48775 | 1/20 | 0.52 |
| ▸ | DHFR | P00374 | 2/20 | 0.52 |
| ▸ | HEXA | P06865 | 1/20 | 0.52 |
| ▸ | HEXB | P07686 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 4/20 | 0.51 |
| ▸ | RAB9A | P51151 | 3/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | HTT | P42858 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL3500167 | 0.90 | DHFR (0.61) | ALDH1A1HPGDHSD17B10CYP1A2NUDT1 | |
| SCHEMBL12368269 | 0.83 | HEXA (0.73) | ALDH1A1CYP1A2DHFRHEXAHEXB | |
| SCHEMBL15429573 | 0.83 | HPGD (0.45) | ALDH1A1HPGDHSD17B10CYP1A2NUDT1 | |
| SCHEMBL30166674 | 0.83 | ALDH1A1 (0.45) | ALDH1A1HPGDHSD17B10CYP1A2NUDT1 | |
| SCHEMBL19160148 | 0.82 | HEXA (0.55) | ALDH1A1HPGDHSD17B10CYP1A2NUDT1 | |
| SCHEMBL89125 | 0.79 | L3MBTL1 (0.60) | ALDH1A1HPGDADORA2AADORA1POLB | |
| SCHEMBL6530612 | 0.78 | HSD17B10 (0.56) | ALDH1A1HPGDHSD17B10CYP1A2NUDT1 | |
| SCHEMBL27459436 | 0.78 | SMN1; SMN2 (0.56) | ALDH1A1HPGDHSD17B10NPC1RAB9A | |
| SCHEMBL11313288 | 0.77 | ALDH1A1 (0.50) | ALDH1A1HPGDHSD17B10ADORA2ABRD4 | |
| SCHEMBL9286817 | 0.77 | ADORA2A (0.50) | ADORA2AADORA1ADORA2BDHFRHEXA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106046197-A | Compound having bacteriostatic activity and preparation and application thereof | 中国科学院海洋研究所 | 2016-10-26 | — | — | CN | disclosed |
| US-20140107100-A1 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture | EXELIXIS, INC. (US) | 2014-04-17 | — | — | US | disclosed |
| US-20140073628-A1 | BENZOXAZEPINES ASN INHIBITORS OF P13K/M TOR AND METHODS OF THEIR USE AND MANUFACTURE | RICE KENNETH D (US) | 2014-03-13 | — | — | US | disclosed |
| US-20140018347-A1 | BENZOXAZEPINES AS INHIBITORS OF mTOR AND METHODS OF THEIR USE AND MANUFACTURE | EXELIXIS, INC. (US) | 2014-01-16 | — | — | US | disclosed |
| WO-2012071511-A1 | BENZOXAZEPINES AS INHIBITORS OF MTOR AND METHODS OF THEIR USE AND MANUFACTURE | EXELIXIS, INC. (US) | 2012-05-31 | — | — | 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 (3 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-20140018347-A1 | BENZOXAZEPINES AS INHIBITORS OF mTOR AND METHODS OF THEIR USE AND MANUFACTURE | MTOR, RICTOR, RPTOR | ALDH1A1 3330/4885HPGD 733/4885HSD17B10 1180/4885 |
| US-20140107100-A1 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture | MTOR, RICTOR, PIK3CA | ALDH1A1 3533/4885HPGD 1161/4885HSD17B10 711/4885 |
| US-20140073628-A1 | BENZOXAZEPINES ASN INHIBITORS OF P13K/M TOR AND METHODS OF THEIR USE AND MANUFACTURE | MTOR, RPTOR, RICTOR | ALDH1A1 4794/4885HPGD 3707/4885HSD17B10 3728/4885 |
“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.