Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | SLC17A5 | Q9NRA2 | 1/20 | 0.39 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.37 |
| ▸ | MDM4 | O15151 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CASP3 | P42574 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | ACE | P12821 | 1/20 | 0.35 |
| ▸ | XBP1 | P17861 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.35 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.35 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL12707836 | 1.00 | CYP1A2 (0.40) | CYP1A2TSHRSLC17A5PIN1MDM4 | |
| SCHEMBL14450386 | 0.87 | CYP1A2 (0.39) | CYP1A2TSHRSLC17A5PIN1MDM4 | |
| SCHEMBL24037465 | 0.85 | IDO1 (0.48) | SLC17A5CASP3MAPTACE | |
| SCHEMBL12066256 | 0.82 | SLC17A5 (0.38) | CYP1A2TSHRSLC17A5PIN1MDM4 | |
| SCHEMBL19888241 | 0.81 | SLC17A5 (0.58) | SLC17A5MDM4TP53CASP3KMT2A | |
| SCHEMBL12315440 | 0.81 | TSHR (0.43) | CYP1A2TSHRMAPTXBP1HTR2A | |
| SCHEMBL2399667 | 0.80 | SLC17A5 (0.47) | SLC17A5MDM4TP53CASP3 | |
| SCHEMBL12707588 | 0.80 | SLC17A5 (0.47) | SLC17A5MDM4TP53CASP3 | |
| SCHEMBL14444777 | 0.79 | CYP1A2 (0.42) | CYP1A2TSHRCASP3MAPTHTR2A | |
| SCHEMBL14537461 | 0.79 | KIF11 (0.46) | CYP1A2TSHRHTR2A |
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-8012975-B2 | These compounds lack a 1,4-bridging group as found in the ecteinascidins; and, have at the C-1 position a substituent selected from an amino or hydroxy group, optionally protected or derivatized; anticarcinogenic agents | PHARMA MAR, S.A. (ES) | 2011-09-06 | — | — | US | disclosed |
| US-7524956-B2 | Hemisynthetic method and new compounds | PHARMA MAR, S.A. (ES) | 2009-04-28 | — | — | US | disclosed |
| US-7420051-B2 | Antitumor agents; microbiocides; antibiotics; forming a 1,4 bridge using a 1-labile, 10-hydroxy, 18-protected hydroxyl, di-6,8-en-5-one fused ring compound. After formation of the 1,4 brige, C-18 protection is removed before spiroamine introduction | PHARMA MAR, S.A. (ES) | 2008-09-02 | — | — | US | disclosed |
| US-7410969-B2 | Antitumoral analogs of ET-743 | PHARMA MAR, S.A. (ES) | 2008-08-12 | — | — | US | disclosed |
| US-20080051407-A1 | These compounds lack a 1,4-bridging group as found in the ecteinascidins; and, have at the C-1 position a substituent selected from an amino or hydroxy group, optionally protected or derivatized; anticarcinogenic agents | PHARMA MAR, S.A., A MADRID SPAIN CORPORATION | 2008-02-28 | — | — | US | disclosed |
| US-20080045713-A1 | Hemisynthetic Method and New Compounds | PHARMA MAR, S.A. (ES) | 2008-02-21 | — | — | US | disclosed |
| US-7247629-B2 | Antitumoral analogs of et-743 | PHARMA MAR, S.A. | 2007-07-24 | — | — | US | disclosed |
| US-7241892-B1 | Hemisynthetic method and new compounds | PHARMA MAR, S.A. (ES) | 2007-07-10 | — | — | US | disclosed |
| US-7202361-B2 | Antitumoral ecteinascidin derivatives | PHARMAMAR (ES) | 2007-04-10 | — | — | 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 (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-20080051407-A1 | These compounds lack a 1,4-bridging group as found in the ecteinascidins; and, have at the C-1 position a substituent selected from an amino or hydroxy group, optionally protected or derivatized; anticarcinogenic agents | FN1, RCN1, ERCC4 | CYP1A2 1554/4885TSHR 3384/4885SLC17A5 793/4885 |
| US-20080045713-A1 | Hemisynthetic Method and New Compounds | CYP8B1, XDH, CYP4A11 | CYP1A2 89/4885TSHR 2766/4885SLC17A5 4575/4885 |
“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.