Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RHEB | Q15382 | 3/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 4/20 | 0.36 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.36 |
| ▸ | DHFR | P00374 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 4/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | HTR1B | P28222 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.34 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.34 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16452871 | 0.85 | RHEB (0.46) | RHEBHTR1ALMNAHTR1BCYP1A2 | |
| SCHEMBL6872834 | 0.81 | RHEB (0.48) | RHEBDRD4DRD3ALDH1A1 | |
| SCHEMBL19329763 | 0.79 | KDM4E (0.45) | RHEBS1PR1S1PR3DHFRHTR1B | |
| SCHEMBL11450500 | 0.77 | HTR1A (0.47) | RHEBHTR1ALMNAHTR1BCYP1A2 | |
| SCHEMBL11451085 | 0.77 | RHEB (0.42) | RHEBLMNACYP1A2CYP3A4TSHR | |
| SCHEMBL11459555 | 0.76 | HTR1A (0.55) | HTTHTR1ALMNAHTR1BCYP1A2 | |
| SCHEMBL11460034 | 0.76 | ADRB2 (0.67) | HTR1ALMNAHTR1BCYP1A2CYP3A4 | |
| SCHEMBL25080566 | 0.75 | RHEB (0.50) | RHEBKDM4EGLAALOX15ALDH1A1 | |
| SCHEMBL11457356 | 0.75 | ADRB2 (0.48) | HTR1ALMNAHTR1BCYP1A2CYP3A4 | |
| SCHEMBL2957852 | 0.74 | ALDH1A1 (0.49) | S1PR1S1PR3DHFRLMNAKDM4E |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1280796-B1 | PYRIMIDINYL METHYL INDOLE DERIVATIVES WITH ANTIBACTERIAL ACTIVITY | BASILEA PHARMACEUTICA AG (CH) | 2004-03-24 | — | — | EP | disclosed |
| US-6703397-B2 | REACTING A NITRILE GROUP CONTAINING INDOLE DERIVEATIVE WITH GUANIDINE OR SALT; USEFUL AS PROHYLAXIS OR THERAPEUTICAL TREATMENT OF INFECTIOUS DISEASES | BASILEA PHARMACEUTICA AG (CH) | 2004-03-09 | — | — | US | disclosed |
| US-20030119857-A1 | Pyrimidinyl methyl indole derivatives with antibacterial activity | BASILEA PHARMACEUTICA AG (CH) | 2003-06-26 | — | — | US | disclosed |
| EP-1280796-A1 | PYRIMIDINYL METHYL INDOLE DERIVATIVES WITH ANTIBACTERIAL ACTIVITY | Basilea Pharmaceutica AG (CH) | 2003-02-05 | — | — | EP | disclosed |
| WO-2001083474-A1 | PYRIMIDINYL METHYL INDOLE DERIVATIVES WITH ANTIBACTERIAL ACTIVITY | BASILEA PHARMACEUTICA AG (CH) | 2001-11-08 | — | — | 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 (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-20030119857-A1 | Pyrimidinyl methyl indole derivatives with antibacterial activity | IDO1, IDO2, AANAT | RHEB 3680/4885HTT 2407/4885S1PR1 1026/4885 |
“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.