Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 7/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | S100B | P04271 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 2/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30362289 | 1.00 | CYP3A4 (0.50) | CYP3A4TDP1ALDH1A1TSHRS100B | |
| SCHEMBL1467057 | 0.82 | TDP1 (0.50) | CYP3A4TDP1ALDH1A1TSHRMAPK1 | |
| SCHEMBL31338515 | 0.78 | NR4A1 (0.44) | CYP3A4TDP1ALDH1A1TSHRTP53 | |
| SCHEMBL4169804 | 0.78 | NR4A1 (0.44) | CYP3A4TDP1ALDH1A1TSHRTP53 | |
| SCHEMBL5718769 | 0.78 | ALDH1A1 (0.40) | TDP1ALDH1A1TSHRCA12CA1 | |
| SCHEMBL627108 | 0.77 | CYP3A4 (0.50) | CYP3A4TDP1ALDH1A1TSHRS100B | |
| SCHEMBL10944967 | 0.77 | CYP3A4 (0.50) | CYP3A4TDP1ALDH1A1TSHRS100B | |
| SCHEMBL3150263 | 0.77 | ESR1 (0.38) | CYP3A4TDP1ALDH1A1TSHRSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL18493517 | 0.76 | NR4A1 (0.42) | CYP3A4TDP1ALDH1A1TSHRTP53 | |
| SCHEMBL3841101 | 0.74 | HDAC8 (0.34) | CA12CA1CA2CA9CA14 |
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-9890327-B2 | Phosphorescent transition metal complex, its preparation and use | CITY UNIVERSITY OF HONG KONG (HK) | 2018-02-13 | — | — | US | disclosed |
| US-20170114275-A1 | PHOSPHORESCENT TRANSITION METAL COMPLEX, ITS PREPARATION AND USE | CITY UNIVERSITY OF HONG KONG (HK) | 2017-04-27 | — | — | US | disclosed |
| US-20100286353-A1 | ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF | FUJIFILM CORPORATION (JP) | 2010-11-11 | — | — | US | disclosed |
| CN-101868444-A | Acetylenic compound, salt thereof, condensate thereof, and composition thereof | FUJIFILM CORP | 2010-10-20 | — | — | CN | disclosed |
| US-20100240908-A1 | ACETYLENE COMPOUND | FUJIFILM CORPORATION (JP) | 2010-09-23 | — | — | US | disclosed |
| CN-101835752-A | Heterocyclic amides useful for the treatment of cancer and psoriasis | ASTRAZENECA AB | 2010-09-15 | — | — | CN | disclosed |
| CN-101808982-A | Acetylene compound | FUJIFILM CORP | 2010-08-18 | — | — | CN | disclosed |
| EP-2202221-A1 | ACETYLENE COMPOUND | Fujifilm Corporation (JP) | 2010-06-30 | — | — | EP | disclosed |
| EP-2202220-A1 | ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF | Fujifilm Corporation (JP) | 2010-06-30 | — | — | EP | 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-20100240908-A1 | ACETYLENE COMPOUND | NAT1, KATNA1, KAT2B | CYP3A4 1909/4885TDP1 4533/4885ALDH1A1 401/4885 |
| US-20100286353-A1 | ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF | KAT8, HDAC10, SSRP1 | CYP3A4 3918/4885TDP1 4001/4885ALDH1A1 1480/4885 |
| US-20170114275-A1 | PHOSPHORESCENT TRANSITION METAL COMPLEX, ITS PREPARATION AND USE | DNAJA3, HSPE1, MDH2 | CYP3A4 3471/4885TDP1 2894/4885ALDH1A1 3496/4885 |
“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.