Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 1/20 | 0.52 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | RET | P07949 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.44 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.44 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.44 |
| ▸ | HTR1A | P08908 | 2/20 | 0.44 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.44 |
| ▸ | DRD2 | P14416 | 2/20 | 0.44 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.44 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.44 |
| ▸ | DRD1 | P21728 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL17305923 | 0.87 | MAOA (0.52) | CES1CYP1A2LMNACHRM1CYP2C19 | |
| SCHEMBL14337171 | 0.81 | MAOB (0.50) | LMNADRD1DRD5NPC1HTT | |
| SCHEMBL29773476 | 0.81 | MEN1 (0.43) | CES1CYP3A4CYP1A2LMNACYP2D6 | |
| SCHEMBL8872692 | 0.81 | MEN1 (0.43) | CES1CYP3A4CYP1A2LMNACYP2D6 | |
| SCHEMBL31660831 | 0.81 | CES1 (0.50) | CES1NFKB1NPC1RAB9AMAPT | |
| SCHEMBL6724258 | 0.78 | CES1 (0.46) | CES1SLC6A2CYP3A4CYP1A2RET | |
| SCHEMBL11609902 | 0.77 | HTR2B (0.52) | SLC6A2CYP1A2LMNACHRM2CHRM4 | |
| SCHEMBL30436624 | 0.75 | CES1 (0.65) | CES1PARP1NPC1TSHRRAB9A | |
| SCHEMBL8919645 | 0.74 | CYP2A6 (0.52) | CES1LMNATP53NFKB1NPC1 | |
| SCHEMBL8924869 | 0.74 | CYP2A6 (0.52) | CES1LMNATP53NFKB1NPC1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150344407-A1 | FENDILINE DERIVATIVES AND METHODS OF USE THEREOF | AVIARA PHARMACEUTICALS, INC. | 2015-12-03 | — | — | US | disclosed |
| EP-0802897-A1 | NOVEL COMPOUNDS | Smithkline Beecham S.p.A. (IT) | 1997-10-29 | — | — | EP | disclosed |
| WO-1996021638-A1 | NOVEL COMPOUNDS | SMITHKLINE BEECHAM S.P.A. (IT) | 1996-07-18 | — | — | WO | disclosed |
| US-5112826-A | VASODILATORY DIHYDRODIBENZOCYCLOHEPTYLIDEN-ETHYLPIPERAZINE DERIVATIVES | CIRERA XAVIER D (ES) | 1992-05-12 | — | — | US | disclosed |
| US-4835179-A | Antiulcer dihydrodibenzocycloheptyliden-ethylamine derivatives and process for the preparation of these compounds | SOCIEDAD ESPANOLA DE ESPECIALIDADES FARMACOTERA PEUTICAS (ES) | 1989-05-30 | — | — | US | disclosed |
| US-4835156-A | Vasodilatory dihydrodibenzocycloheptyliden-ethyl piperazine derivatives and process for the preparation of these compounds | SOCIEDAD ESPANOLA DE ESPECIALIDADES TEREPEUTICAS, S.A. (ES) | 1989-05-30 | — | — | 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-20150344407-A1 | FENDILINE DERIVATIVES AND METHODS OF USE THEREOF | KRAS, RASSF5, RASSF2 | CES1 344/4885SLC6A2 2477/4885CYP3A4 120/4885 |
“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.