Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.54 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.54 |
| ▸ | MAPT | P10636 | 8/20 | 0.48 |
| ▸ | KIF20A | O95235 | 1/20 | 0.47 |
| ▸ | NQO2 | P16083 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 4/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL621136 | 1.00 | ESR1 (0.54) | ESR1ESR2MAPTKIF20ANQO2 | |
| SCHEMBL621137 | 1.00 | ESR1 (0.54) | ESR1ESR2MAPTKIF20ANQO2 | |
| SCHEMBL623482 | 0.87 | ALDH1A1 (0.53) | ESR1ESR2MAPTKIF20ANQO2 | |
| SCHEMBL623481 | 0.87 | ALDH1A1 (0.53) | ESR1ESR2MAPTKIF20ANQO2 | |
| SCHEMBL4912768 | 0.82 | MAPT (0.64) | ESR1ESR2MAPTKIF20AALDH1A1 | |
| SCHEMBL4906544 | 0.82 | MAPT (0.64) | ESR1ESR2MAPTKIF20AALDH1A1 | |
| SCHEMBL4906546 | 0.82 | MAPT (0.64) | ESR1ESR2MAPTKIF20AALDH1A1 | |
| SCHEMBL13485321 | 0.80 | ESR1 (0.69) | ESR1ESR2MAPTKIF20ANQO2 | |
| SCHEMBL8400486 | 0.80 | ESR1 (0.56) | ESR1ESR2MAPTKIF20ANQO2 | |
| SCHEMBL8400487 | 0.80 | ESR1 (0.56) | ESR1ESR2MAPTKIF20ANQO2 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9238619-B2 | Phenalkylamine derivatives, pharmaceutical compositions containing them, and their use in therapy | AbbVie Deutschland GmbH & Co. KG (DE) | 2016-01-19 | — | — | US | disclosed |
| US-9238619-B2 | Phenalkylamine derivatives, pharmaceutical compositions containing them, and their use in therapy | AbbVie Deutschland GmbH & Co. KG (DE) | 2016-01-19 | — | — | US | disclosed |
| US-8877794-B2 | Phenalkylamine derivatives, pharmaceutical compositions containing them, and their use in therapy | ABBOTT LABORATORIES (US) | 2014-11-04 | — | — | US | disclosed |
| US-8877794-B2 | Phenalkylamine derivatives, pharmaceutical compositions containing them, and their use in therapy | ABBOTT LABORATORIES (US) | 2014-11-04 | — | — | US | disclosed |
| US-20140256701-A1 | PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY | AbbVie Deutschland GmbH & Co. KG (DE) | 2014-09-11 | — | — | US | disclosed |
| US-20140256701-A1 | PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY | AbbVie Deutschland GmbH & Co. KG (DE) | 2014-09-11 | — | — | US | disclosed |
| US-20120077796-A1 | PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY | ABBOTT LABORATORIES (US) | 2012-03-29 | — | — | US | disclosed |
| US-20120077796-A1 | PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY | ABBOTT LABORATORIES (US) | 2012-03-29 | — | — | US | disclosed |
| WO-2012020130-A1 | PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY | ABBOTT GMBH & CO. KG (DE) | 2012-02-16 | — | — | 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 (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-20140256701-A1 | PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY | KCNT1, CEPT1, PIGT | ESR1 4819/4885ESR2 4592/4885MAPT 385/4885 |
| US-20120077796-A1 | PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY | KCNT1, CEPT1, PIGT | ESR1 4819/4885ESR2 4592/4885MAPT 385/4885 |
“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.