Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.78 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.78 |
| ▸ | KIF11 | P52732 | 5/20 | 0.64 |
| ▸ | TRPV6 | Q9H1D0 | 2/20 | 0.52 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.48 |
| ▸ | BACE1 | P56817 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.44 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.44 |
| ▸ | ACP3 | P15309 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.42 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.42 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.42 |
| ▸ | MGLL | Q99685 | 1/20 | 0.42 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Trifluoromethylbenzene SCHEMBL27760126 | 0.88 | TSHR (1.00) | TSHRALDH1A1KIF11TRPV6CYP19A1 | |
| Trifluoromethylbenzene SCHEMBL8692 | 0.88 | TSHR (1.00) | TSHRALDH1A1KIF11TRPV6CYP19A1 | |
| Trifluoromethylbenzene SCHEMBL175647 | 0.88 | TSHR (1.00) | TSHRALDH1A1KIF11TRPV6CYP19A1 | |
| Trifluoromethylbenzene SCHEMBL7870246 | 0.85 | TSHR (0.93) | TSHRALDH1A1KIF11TRPV6CYP19A1 | |
| Trifluoromethylbenzene SCHEMBL14121438 | 0.85 | TSHR (0.93) | TSHRALDH1A1KIF11TRPV6CYP19A1 | |
| Trifluoromethylbenzene SCHEMBL9482280 | 0.85 | TSHR (0.93) | TSHRALDH1A1KIF11TRPV6CYP19A1 | |
| Trifluoromethylbenzene SCHEMBL30957761 | 0.85 | TSHR (0.93) | TSHRALDH1A1KIF11TRPV6CYP19A1 | |
| Trifluoromethylbenzene SCHEMBL1830622 | 0.85 | TSHR (0.93) | TSHRALDH1A1KIF11TRPV6CYP19A1 | |
| Trifluoromethylbenzene SCHEMBL22806921 | 0.85 | TSHR (0.93) | TSHRALDH1A1KIF11TRPV6CYP19A1 | |
| Trifluoromethylbenzene SCHEMBL14121761 | 0.85 | TSHR (0.93) | TSHRALDH1A1KIF11TRPV6CYP19A1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8268865-B2 | Quaternary alkyl ammonium bacterial efflux pump inhibitors and therapeutic uses thereof | REMPEX PHARMACEUTICALS, INC. (US) | 2012-09-18 | — | — | US | disclosed |
| US-20120165276-A1 | QUATERNARY ALKYL AMMONIUM BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF | MPEX PHARMACEUTICALS, INC. (US) | 2012-06-28 | — | — | 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 |
| WO-2010054102-A2 | POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF | MPEX PHARMACEUTICALS, INC. (US) | 2010-05-14 | — | — | WO | disclosed |
| EP-2155775-A2 | POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF | Mpex Pharmaceuticals, Inc. (US) | 2010-02-24 | — | — | EP | disclosed |
| EP-2155776-A2 | QUATERNARY ALKYL AMMONIUM BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF | Mpex Pharmaceuticals, Inc. (US) | 2010-02-24 | — | — | EP | disclosed |
| US-20080318957-A1 | POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF | MPEX PHARMACEUTICALS, INC. (US) | 2008-12-25 | — | — | US | disclosed |
| WO-2008141012-A2 | QUATERNARY ALKYL AMMONIUM BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF | MPEX PHARMACEUTICALS, INC. (US) | 2008-11-20 | — | — | WO | disclosed |
| WO-2008141010-A2 | POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF | MPEX PHARMACEUTICALS, INC. (US) | 2008-11-20 | — | — | 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-20100152098-A1 | POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF | ABCB11, ABCB1, SLC47A1 | TSHR 4679/4885ALDH1A1 4062/4885KIF11 4467/4885 |
| US-20080318957-A1 | POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF | ABCB11, ABCB1, SLC47A1 | TSHR 4679/4885ALDH1A1 4062/4885KIF11 4467/4885 |
| US-20120165276-A1 | QUATERNARY ALKYL AMMONIUM BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF | ABCB11, ABCC1, SLC47A1 | TSHR 4138/4885ALDH1A1 3299/4885KIF11 4292/4885 |
“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.