Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.44 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.42 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.42 |
| ▸ | SCN1A | P35498 | 1/20 | 0.42 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.42 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.42 |
| ▸ | PTPRB | P23467 | 1/20 | 0.42 |
| ▸ | PPID | Q08752 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL22338892 | 1.00 | ESR1 (0.46) | ESR1ESR2NPC1RAB9ACXCR1 | |
| SCHEMBL19647373 | 1.00 | ESR1 (0.46) | ESR1ESR2NPC1RAB9ACXCR1 | |
| SCHEMBL15865986 | 0.85 | ESR1 (0.41) | ESR1ESR2NPC1RAB9ACXCR1 | |
| SCHEMBL2432711 | 0.84 | LMNA (0.51) | NPC1RAB9AALDH1A1HSD17B10CYP2C9 | |
| SCHEMBL6575139 | 0.84 | ATM (0.50) | ESR1ESR2NPC1RAB9ACXCR1 | |
| SCHEMBL13534766 | 0.84 | ESR1 (0.47) | ESR1ESR2NPC1RAB9ACXCR1 | |
| SCHEMBL3992599 | 0.84 | PTPRB (0.58) | ESR1ESR2NPC1RAB9ACXCR1 | |
| SCHEMBL14564293 | 0.84 | ATM (0.50) | ESR1ESR2NPC1RAB9ACXCR1 | |
| SCHEMBL5546946 | 0.84 | ESR1 (0.65) | ESR1ESR2NPC1RAB9AKMT2A | |
| SCHEMBL14590363 | 0.84 | ATM (0.50) | ESR1ESR2NPC1RAB9ACXCR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160264566-A1 | ANTI-ALPHAVBETA1 INTEGRIN INHIBITORS AND METHODS OF USE | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2016-09-15 | — | — | US | disclosed |
| US-8178490-B2 | Polybasic bacterial efflux pump inhibitors and therapeutic uses thereof | REMPEX PHARMACEUTICALS, INC. (US) | 2012-05-15 | — | — | US | disclosed |
| US-20100152098-A1 | POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF | MPEX PHARMACEUTICALS, INC. (US) | 2010-06-17 | — | — | 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 (2 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-20100152098-A1 | POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF | ABCB11, ABCB1, SLC47A1 | ESR1 4291/4885ESR2 3906/4885NPC1 124/4885 |
| US-20160264566-A1 | ANTI-ALPHAVBETA1 INTEGRIN INHIBITORS AND METHODS OF USE | ITGB1, ITGA1, ITGAV | ESR1 3776/4885ESR2 1331/4885NPC1 1723/4885 |
“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.