Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 1/20 | 0.48 |
| ▸ | RARB | P10826 | 2/20 | 0.47 |
| ▸ | RARG | P13631 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | RXRA | P19793 | 3/20 | 0.40 |
| ▸ | RXRB | P28702 | 3/20 | 0.40 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.40 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | MMP12 | P39900 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL254253 | 0.92 | RARB (0.55) | ACACBRARBRARGALDH1A1PTPN11 | |
| SCHEMBL2679567 | 0.86 | TSHR (0.60) | ACACBRARBRARGALDH1A1PTPN11 | |
| SCHEMBL49984 | 0.84 | TSHR (0.63) | ALDH1A1TSHRTP53SMN1; SMN2NPC1 | |
| Terephthalic Acid SCHEMBL28453225 | 0.84 | TSHR (0.63) | ALDH1A1TSHRTP53SMN1; SMN2NPC1 | |
| Terephthalic Acid SCHEMBL28358133 | 0.84 | TSHR (0.63) | ALDH1A1TSHRTP53SMN1; SMN2NPC1 | |
| SCHEMBL15251986 | 0.82 | TSHR (0.60) | ALDH1A1TSHRTP53SMN1; SMN2NPC1 | |
| Ammonia Solution, Strong SCHEMBL11061336 | 0.82 | TSHR (0.60) | ALDH1A1TSHRTP53SMN1; SMN2NPC1 | |
| SCHEMBL10570096 | 0.82 | TSHR (0.60) | ALDH1A1TSHRTP53SMN1; SMN2NPC1 | |
| SCHEMBL16820923 | 0.81 | MMP2 (0.51) | ACACBRARBRARGALDH1A1PTPN11 | |
| SCHEMBL402852 | 0.80 | TSHR (0.54) | RARBRARGPTPN11TSHRTP53 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170349544-A1 | Ethynylbenzene Derivatives | DUKE UNIVERSITY | 2017-12-07 | — | — | US | disclosed |
| US-20170349544-A1 | Ethynylbenzene Derivatives | DUKE UNIVERSITY | 2017-12-07 | — | — | US | disclosed |
| US-9738604-B2 | Ethynylbenzene derivatives | DUKE UNIVERSITY (US) | 2017-08-22 | — | — | US | disclosed |
| US-9738604-B2 | Ethynylbenzene derivatives | DUKE UNIVERSITY (US) | 2017-08-22 | — | — | US | disclosed |
| US-9617256-B2 | Antibacterial agents | ACHAOGEN, INC. (US) | 2017-04-11 | — | — | US | disclosed |
| EP-2170814-B1 | ANTIBACTERIAL AGENTS | ACHAOGEN INC (US) | 2016-08-17 | — | — | EP | disclosed |
| EP-2662353-A2 | Antibacterial agents | Achaogen, Inc. (US) | 2013-11-13 | — | — | EP | disclosed |
| US-20130231323-A1 | ETHYNYLBENZENE DERIVATIVES | DUKE UNIVERSITY (US) | 2013-09-05 | — | — | US | disclosed |
| US-20130231323-A1 | ETHYNYLBENZENE DERIVATIVES | DUKE UNIVERSITY (US) | 2013-09-05 | — | — | US | disclosed |
| US-20100190766-A1 | ANTIBACTERIAL AGENTS | ACHAOGEN, INC. (US) | 2010-07-29 | — | — | US | disclosed |
| WO-2008154642-A2 | ANTIBACTERIAL AGENTS | ACHAOGEN, INC. (US) | 2008-12-18 | — | — | 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-20100190766-A1 | ANTIBACTERIAL AGENTS | MRPL21, SI, ABCB11 | ACACB 3224/4885RARB 1644/4885RARG 2102/4885 |
| US-20170349544-A1 | Ethynylbenzene Derivatives | Q6ZSR9, EPX, ZYX | ACACB 2488/4885RARB 1630/4885RARG 2938/4885 |
| US-20130231323-A1 | ETHYNYLBENZENE DERIVATIVES | Q6ZSR9, EPX, ZYX | ACACB 2488/4885RARB 1630/4885RARG 2938/4885 |
“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.